Pyrimidines and pyrimidine derivatives

Thiamine Hydrochloride (USP/FCC), Fisher Chemical

CAS: 67-03-8 Molecular Formula: C12H18Cl2N4OS Molecular Weight (g/mol): 337.263 MDL Number: MFCD00012780 InChI Key: DPJRMOMPQZCRJU-UHFFFAOYSA-M Synonym: aneurine hydrochloride, berin, thiamin chloride, thiamine chloride hydrochloride, thiamine dichloride, thiamine hcl, thiamine hydrochloride, thiaminium chloride, trophite, vitamin b1 hydrochloride PubChem CID: 6202 ChEBI: CHEBI:49105 IUPAC Name: 2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethanol;chloride;hydrochloride SMILES: CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCO.Cl.[Cl-]

Thiamine hydrochloride, 98.5-101.5%, ACROS Organics™

CAS: 67-03-8 Molecular Formula: C12H17ClN4OS·HCl Molecular Weight (g/mol): 337.26 MDL Number: MFCD00012780 InChI Key: DPJRMOMPQZCRJU-UHFFFAOYSA-M Synonym: aneurine hydrochloride, berin, thiamin chloride, thiamine chloride hydrochloride, thiamine dichloride, thiamine hcl, thiamine hydrochloride, thiaminium chloride, trophite, vitamin b1 hydrochloride PubChem CID: 6202 ChEBI: CHEBI:49105 IUPAC Name: 2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethanol;chloride;hydrochloride SMILES: CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCO.Cl.[Cl-]

Thiamine Hydrochloride, Powder, MP Biomedicals

CAS: 532-43-4 Molecular Formula: C12H17N5O4S Molecular Weight (g/mol): 327.359 MDL Number: MFCD00012780 InChI Key: UIERGBJEBXXIGO-UHFFFAOYSA-N Synonym: aneurine mononitrate, aneurine nitrate, betabion mononitrate, thiamine mononitrate, thiamine mononitrate usp, thiamine nitrate, thiamine nitrate salt, vitamin b sub 1 nitrate, vitamin b1 mononitrate, vitamin b1 nitrate PubChem CID: 10762 IUPAC Name: 2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethanol;nitrate SMILES: CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCO.[N+](=O)([O-])[O-]

Guanine, 99+%, ACROS Organics™

CAS: 73-40-5 Molecular Formula: C5H5N5O Molecular Weight (g/mol): 151.13 MDL Number: MFCD00071533 InChI Key: UYTPUPDQBNUYGX-UHFFFAOYSA-N Synonym: 2-amino-6-hydroxypurine, 2-aminohypoxanthine, dew pearl, guanin, guanine, guanine enol, mearlmaid, natural pearl essence, pearl essence, stella polaris PubChem CID: 764 ChEBI: CHEBI:16235 IUPAC Name: 2-amino-3,7-dihydropurin-6-one SMILES: C1=NC2=C(N1)C(=O)N=C(N2)N

Thiamine, Hydrochloride, MP Biomedicals

CAS: 67-03-8 Molecular Formula: C12H18Cl2N4OS Molecular Weight (g/mol): 337.263 InChI Key: DPJRMOMPQZCRJU-UHFFFAOYSA-M Synonym: aneurine hydrochloride, berin, thiamin chloride, thiamine chloride hydrochloride, thiamine dichloride, thiamine hcl, thiamine hydrochloride, thiaminium chloride, trophite, vitamin b1 hydrochloride PubChem CID: 6202 ChEBI: CHEBI:49105 IUPAC Name: 2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethanol;chloride;hydrochloride SMILES: CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCO.Cl.[Cl-]

Alfa Aesar™ 5-Bromouridine, 98%

CAS: 957-75-5 Molecular Formula: C9H11BrN2O6 Molecular Weight (g/mol): 323.099 MDL Number: MFCD00006528 InChI Key: AGFIRQJZCNVMCW-UAKXSSHOSA-N Synonym: 1-beta-ribofuranosyl-5-bromo-uracil, 5-bromo-1-2r,3r,4s,5r-3,4-dihydroxy-5-hydroxymethyl tetrahydrofuran-2-yl pyrimidine-2,4 1h,3h-dione, 5-bromo-uridine, 5-bromouracil ribonucleoside, 5-bromouridine, bromouridine, bru, key8pg1brc, unii-key8pg1brc, uridine, 5-bromo PubChem CID: 91494 ChEBI: CHEBI:20553 IUPAC Name: 5-bromo-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione SMILES: C1=C(C(=O)NC(=O)N1C2C(C(C(O2)CO)O)O)Br

Cytosine 98.0+%, TCI America™

CAS: 71-30-7 Molecular Formula: C4H5N3O Molecular Weight (g/mol): 111.104 MDL Number: MFCD00006034 InChI Key: OPTASPLRGRRNAP-UHFFFAOYSA-N Synonym: 2 1h-pyrimidinone, 4-amino, 2 1h-pyrimidinone, 6-amino, 4-amino-2 1h-pyrimidinone, 4-amino-2-hydroxypyrimidine, 4-amino-2-oxo-1,2-dihydropyrimidine, 4-aminopyrimidin-2 1h-one, 6-aminopyrimidin-2 1h-one, cyt, cytosine, cytosinimine PubChem CID: 597 ChEBI: CHEBI:16040 IUPAC Name: 6-amino-1H-pyrimidin-2-one SMILES: C1=C(NC(=O)N=C1)N

Uracil, 99+%, ACROS Organics™

CAS: 66-22-8 Molecular Formula: C4H4N2O2 Molecular Weight (g/mol): 112.09 MDL Number: MFCD00006016 InChI Key: ISAKRJDGNUQOIC-UHFFFAOYSA-N Synonym: 2,4 1h,3h-pyrimidinedione, 2,4-dihydroxypyrimidine, 2,4-dioxopyrimidine, 2,4-pyrimidinediol, 2,4-pyrimidinedione, hybar x, pirod, pyrimidine-2,4 1h,3h-dione, pyrod, uracil PubChem CID: 1174 ChEBI: CHEBI:17568 IUPAC Name: 1H-pyrimidine-2,4-dione SMILES: C1=CNC(=O)NC1=O

Murexide, ACS Grade, LabChem™

CAS: 3051-09-0 Molecular Formula: C8H3N5O6-2 Molecular Weight (g/mol): 265.141 InChI Key: MUMMBXDKKJEASE-UHFFFAOYSA-L Synonym: 5-hexahydro-2,4,6-trioxo-5-pyrimidinyl imino-2,4,6 1h,3h,5h-pyrimidinetrione ammonium salt, 6-oxidanylidene-5-2,4,6-tris oxidanylidene-1,3-diazinan-5-ylidene amino-1h-pyrimidine-2,4-diolate, 6-oxo-5-2,4,6-trioxo-1,3-diazinan-5-ylidene amino-1h-pyrimidine-2,4-diolate, ammonium purpurate acid, murexide PubChem CID: 51381221 IUPAC Name: 6-oxo-5-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)amino]-1H-pyrimidine-2,4-diolate SMILES: C1(=C(N=C(NC1=O)[O-])[O-])N=C2C(=O)NC(=O)NC2=O

Alfa Aesar™ 5-Fluorocytosine, 98+%

CAS: 2022-85-7 Molecular Formula: C4H4FN3O Molecular Weight (g/mol): 129.094 MDL Number: MFCD00006035 InChI Key: XRECTZIEBJDKEO-UHFFFAOYSA-N Synonym: 5-fc, 5-fluorocystosine, 5-fluorocytosin, 5-fluorocytosine, ancobon, ancotil, flucytosin, flucytosine, fluocytosine, fluorcytosine PubChem CID: 3366 ChEBI: CHEBI:5100 IUPAC Name: 6-amino-5-fluoro-1H-pyrimidin-2-one SMILES: C1=NC(=O)NC(=C1F)N

Thymine 98.0+%, TCI America™

CAS: 65-71-4 Molecular Formula: C5H6N2O2 Molecular Weight (g/mol): 126.115 MDL Number: MFCD00006026 InChI Key: RWQNBRDOKXIBIV-UHFFFAOYSA-N Synonym: 2,4 1h,3h-pyrimidinedione, 5-methyl, 2,4-dihydroxy-5-methylpyrimidine, 5-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione, 5-methyl-2,4 1h,3h-pyrimidinedione, 5-methylpyrimidine-2,4 1h,3h-dione, 5-methyluracil, thymin, thymin purine base, thymine, thymine anhydrate PubChem CID: 1135 ChEBI: CHEBI:17821 IUPAC Name: 5-methyl-1H-pyrimidine-2,4-dione SMILES: CC1=CNC(=O)NC1=O

6-Phenyl-2-thiouracil 98.0+%, TCI America™

CAS: 36822-11-4 Molecular Formula: C10H8N2OS Molecular Weight (g/mol): 204.247 MDL Number: MFCD00059166 InChI Key: XEKNACRTWJHOCE-UHFFFAOYSA-N PubChem CID: 697057 IUPAC Name: 6-phenyl-2-sulfanylidene-1H-pyrimidin-4-one SMILES: C1=CC=C(C=C1)C2=CC(=O)NC(=S)N2

Alfa Aesar™ 2,4-Dioxo-1,2,3,4-tetrahydropyrimidine-5-sulfonyl chloride, 97%

CAS: 28485-18-9 Molecular Formula: C4H3ClN2O4S Molecular Weight (g/mol): 210.588 MDL Number: MFCD06655485 InChI Key: FQHNJCWWBKYCJW-UHFFFAOYSA-N Synonym: 1,2,3,4-tetrahydro-2,4-dioxo-5-pyrimidinesulfonyl chloride, 2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinesulfonyl chloride, 2,4-dioxo-1,2,3,4-tetrahydro-pyrimidine-5-sulfonyl chloride, 2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-sulfonyl chloride, 2,4-dioxo-1,3-dihydropyrimidine-5-sulfonyl chloride, 5-chlorosulfonyl-1,3-dihydropyrimidine-2,4-dione, 5-pyrimidinesulfonylchloride, 1,2,3,4-tetrahydro-2,4-dioxo, uracil-5-sulphonyl chloride PubChem CID: 234620 IUPAC Name: 2,4-dioxo-1H-pyrimidine-5-sulfonyl chloride SMILES: C1=C(C(=O)NC(=O)N1)S(=O)(=O)Cl

Uracil, 99+%, Alfa Aesar™

CAS: 66-22-8 Molecular Formula: C4H4N2O2 Molecular Weight (g/mol): 112.088 MDL Number: MFCD00006016 InChI Key: ISAKRJDGNUQOIC-UHFFFAOYSA-N Synonym: 2,4 1h,3h-pyrimidinedione, 2,4-dihydroxypyrimidine, 2,4-dioxopyrimidine, 2,4-pyrimidinediol, 2,4-pyrimidinedione, hybar x, pirod, pyrimidine-2,4 1h,3h-dione, pyrod, uracil PubChem CID: 1174 ChEBI: CHEBI:17568 IUPAC Name: 1H-pyrimidine-2,4-dione SMILES: C1=CNC(=O)NC1=O

Alfa Aesar™ 5-Aminouracil, 97%

CAS: 932-52-5 Molecular Formula: C4H5N3O2 Molecular Weight (g/mol): 127.103 MDL Number: MFCD00006025 InChI Key: BISHACNKZIBDFM-UHFFFAOYSA-N Synonym: 2,4 1h,3h-pyrimidinedione, 5-amino, 2,4-dihydroxy-5-aminopyrimidine, 5-amino-1,3-dihydropyrimidine-2,4-dione, 5-amino-2,4-dihydroxypyrimidine, 5-aminopyrimidine-2,4-diol, 5-aminouracil, r2o7eky9g9, unii-r2o7eky9g9, uracil, 5-amino, wbu PubChem CID: 13611 ChEBI: CHEBI:46348 IUPAC Name: 5-amino-1H-pyrimidine-2,4-dione SMILES: C1=C(C(=O)NC(=O)N1)N

Alfa Aesar™ 2-Hydroxy-4,6-dimethylpyrimidine, 97%

CAS: 108-79-2 Molecular Formula: C6H8N2O Molecular Weight (g/mol): 124.143 MDL Number: MFCD00006072 InChI Key: WHEQVHAIRSPYDK-UHFFFAOYSA-N Synonym: 2 1h-pyrimidinone, 4,6-dimethyl, 2-hydroxy-4,6-dimethylpyrimidine, 4,6-dimethyl-2-hydroxypyrimidine, 4,6-dimethyl-2-pyrimidinol, 4,6-dimethyl-2-pyrimidone, 4,6-dimethyl-pyrimidin-2-ol, 4,6-dimethylpyrimidin-2 1h-one, 4,6-dimethylpyrimidin-2-ol, hg0cbn4v9f, unii-hg0cbn4v9f PubChem CID: 9508 IUPAC Name: 4,6-dimethyl-1H-pyrimidin-2-one SMILES: CC1=CC(=NC(=O)N1)C

5-Ethynyluracil 97.0+%, TCI America™

CAS: 59989-18-3 Molecular Formula: C6H4N2O2 Molecular Weight (g/mol): 136.11 MDL Number: MFCD00871973 InChI Key: JOZGNYDSEBIJDH-UHFFFAOYSA-N PubChem CID: 43157 IUPAC Name: 5-ethynyl-1H-pyrimidine-2,4-dione SMILES: C#CC1=CNC(=O)NC1=O

2-Amino-6-chloropurine 98.0+%, TCI America™

CAS: 10310-21-1 Molecular Formula: C5H4ClN5 Molecular Weight (g/mol): 169.572 MDL Number: MFCD00075252 InChI Key: RYYIULNRIVUMTQ-UHFFFAOYSA-N Synonym: 1h-purin-2-amine, 6-chloro, 2-amino-6-chloro-purin, 2-amino-6-chloro-purine, 2-amino-6-chloropurine, 2-amino-6-chlorpurine, 6-chloro-2-aminopurine, 6-chloro-7h-purin-2-ylamine, 6-chloro-9h-purin-2-amine, 6-chloroguanine, purine, 2-amino-6-chloro PubChem CID: 5360349 ChEBI: CHEBI:72345 IUPAC Name: 6-chloro-7H-purin-2-amine SMILES: C1=NC2=C(N1)C(=NC(=N2)N)Cl

Thiamine Hydrochloride Hydrate 98.0+%, TCI America™

CAS: 67-03-8 Molecular Formula: C12H18Cl2N4OS Molecular Weight (g/mol): 337.263 MDL Number: MFCD00012780 InChI Key: DPJRMOMPQZCRJU-UHFFFAOYSA-M Synonym: aneurine hydrochloride, berin, thiamin chloride, thiamine chloride hydrochloride, thiamine dichloride, thiamine hcl, thiamine hydrochloride, thiaminium chloride, trophite, vitamin b1 hydrochloride PubChem CID: 6202 ChEBI: CHEBI:49105 IUPAC Name: 2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethanol;chloride;hydrochloride SMILES: CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCO.Cl.[Cl-]

Thiamine Hydrochloride, U.S.P. - F.C.C., J.T.Baker™

CAS: 67-03-8 Molecular Formula: C12H18Cl2N4OS Molecular Weight (g/mol): 337.263 InChI Key: DPJRMOMPQZCRJU-UHFFFAOYSA-M Synonym: aneurine hydrochloride, berin, thiamin chloride, thiamine chloride hydrochloride, thiamine dichloride, thiamine hcl, thiamine hydrochloride, thiaminium chloride, trophite, vitamin b1 hydrochloride PubChem CID: 6202 ChEBI: CHEBI:49105 IUPAC Name: 2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethanol;chloride;hydrochloride SMILES: CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCO.Cl.[Cl-]

4-Amino-6-hydroxypyrimidine, 98%, ACROS Organics™

CAS: 1193-22-2 Molecular Formula: C4H5N3O Molecular Weight (g/mol): 111.1 InChI Key: HFMLLTVIMFEQRE-UHFFFAOYSA-N Synonym: 4 1h-pyrimidinone, 6-amino, 4-amino-6-hydroxypyrimidine, 4-hydroxy-6-aminopyrimidine, 4-oxy-6-aminopyrimidine, 4-pyrimidinol, 6-amino, 6-amino-3h-pyrimidin-4-one, 6-amino-4 1h-pyrimidinone, 6-amino-4-pyrimidinol, 6-aminopyrimidin-4 3h-one, 6-aminopyrimidin-4-ol PubChem CID: 70944 IUPAC Name: 6-amino-1H-pyrimidin-4-one SMILES: C1=C(NC=NC1=O)N

Alfa Aesar™ 2-Amino-4-chloro-6-methylpyrimidine, 98%

CAS: 5600-21-5 Molecular Formula: C5H6ClN3 Molecular Weight (g/mol): 143.574 MDL Number: MFCD00006091 InChI Key: NPTGVVKPLWFPPX-UHFFFAOYSA-N Synonym: 2-amino-4-chloro-6-methylpyrimidine, 2-amino-6-chloro-4-methylpyrimidine, 2-pyrimidinamine, 4-chloro-6-methyl, 4-chloro-6-methyl-2-pyrimidinamine, 4-chloro-6-methylpyrimidin-2-ylamine, am inhibitor, am nitrification inhibitor, am pesticide, prepn. am, pyrimidine, 2-amino-4-chloro-6-methyl PubChem CID: 21810 ChEBI: CHEBI:58960 IUPAC Name: 4-chloro-6-methylpyrimidin-2-amine SMILES: CC1=CC(=NC(=N1)N)Cl

4-Chloro-2-(methylthio)pyrimidine 98.0+%, TCI America™

CAS: 49844-90-8 Molecular Formula: C5H5ClN2S Molecular Weight (g/mol): 160.619 MDL Number: MFCD00006083 InChI Key: DFOHHQRGDOQMKG-UHFFFAOYSA-N Synonym: 4-chloro-2-methylmercapto pyrimidine, 4-chloro-2-methylsulfanyl pyrimidine, 4-chloro-2-methylsulfanyl-pyrimidine, 4-chloro-2-methylthio pyrimidine, 4-chloro-2-methylthiopyrimidine, acmc-1asbn, pubchem15403, pubchem15764, pyrimidine, 4-chloro-2-methylthio, zlchem 575 PubChem CID: 97113 IUPAC Name: 4-chloro-2-methylsulfanylpyrimidine SMILES: CSC1=NC=CC(=N1)Cl

1,3-Dimethyl-6-chlorouracil 98.0+%, TCI America™

CAS: 6972-27-6 Molecular Formula: C6H7ClN2O2 Molecular Weight (g/mol): 174.584 MDL Number: MFCD00038066 InChI Key: VATQPUHLFQHDBD-UHFFFAOYSA-N Synonym: 1,3-dimethyl-4-chlorouracil, 1,3-dimethyl-6-chlorouracil, 2,4 1h,3h-pyrimidinedione, 6-chloro-1,3-dimethyl, 6-chloro-1,3-dimethyl-1,3-dihydropyrimidine-2,4-dione, 6-chloro-1,3-dimethyl-2,4 1h,3h-pyrimidinedione, 6-chloro-1,3-dimethyl-2,4-1h,3h-pyrimidinedione, 6-chloro-1,3-dimethylpyrimidine-2,4 1h,3h-dione, 6-chloro-1,3-dimethyluracil, 6-chloro-2,4-dihydroxy-1,3-dimethylpyrimidine, acmc-209oan PubChem CID: 81442 IUPAC Name: 6-chloro-1,3-dimethylpyrimidine-2,4-dione SMILES: CN1C(=CC(=O)N(C1=O)C)Cl

Alfa Aesar™ 1,3-Dimethyl-6-methylamino-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxaldehyde, 96%

CAS: 89549-92-8 Molecular Formula: C8H11N3O3 Molecular Weight (g/mol): 197.194 MDL Number: MFCD10007818 InChI Key: LMOMYYSBGBBWCF-UHFFFAOYSA-N Synonym: 1,3-dimethyl-4-methylamino-2,6-dioxopyrimidine-5-carbaldehyde, 1,3-dimethyl-6-methylamino-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbaldehyde, 1,3-dimethyl-6-methylamino-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxaldehyde PubChem CID: 13223304 IUPAC Name: 1,3-dimethyl-4-(methylamino)-2,6-dioxopyrimidine-5-carbaldehyde SMILES: CNC1=C(C(=O)N(C(=O)N1C)C)C=O

4-Amino-5-fluoro-2-methoxypyrimidine 99.0+%, TCI America™

CAS: 1993-63-1 Molecular Formula: C5H6FN3O Molecular Weight (g/mol): 143.121 MDL Number: MFCD09264289 InChI Key: BYALTIIVASWNSY-UHFFFAOYSA-N PubChem CID: 44630535 IUPAC Name: 5-fluoro-2-methoxypyrimidin-4-amine SMILES: COC1=NC=C(C(=N1)N)F

Alfa Aesar™ Cytosine, 98+%

CAS: 71-30-7 Molecular Formula: C4H5N3O Molecular Weight (g/mol): 111.104 MDL Number: MFCD00006034 InChI Key: OPTASPLRGRRNAP-UHFFFAOYSA-N Synonym: 2 1h-pyrimidinone, 4-amino, 2 1h-pyrimidinone, 6-amino, 4-amino-2 1h-pyrimidinone, 4-amino-2-hydroxypyrimidine, 4-amino-2-oxo-1,2-dihydropyrimidine, 4-aminopyrimidin-2 1h-one, 6-aminopyrimidin-2 1h-one, cyt, cytosine, cytosinimine PubChem CID: 597 ChEBI: CHEBI:16040 IUPAC Name: 6-amino-1H-pyrimidin-2-one SMILES: C1=C(NC(=O)N=C1)N

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