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 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 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: thiamine hydrochloride, vitamin b1 hydrochloride, thiamine hcl, aneurine hydrochloride, berin, thiamine chloride hydrochloride, trophite, thiamin chloride, thiamine dichloride, thiaminium chloride 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-]

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 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

Alfa Aesar™ 2-Mercapto-4,6-dimethylpyrimidine hydrate, 98%

CAS: 22325-27-5 Molecular Formula: C6H8N2S Molecular Weight (g/mol): 140.204 MDL Number: MFCD00006079 InChI Key: RAFAYWADRVMWFA-UHFFFAOYSA-N Synonym: 2 1h-pyrimidinethione, 4,6-dimethyl PubChem CID: 673664 IUPAC Name: 4,6-dimethyl-1H-pyrimidine-2-thione SMILES: CC1=CC(=NC(=S)N1)C

5-Fluorouracil, 99%, ACROS Organics™

CAS: 51-21-8 Molecular Formula: C4H3FN2O2 Molecular Weight (g/mol): 130.08 InChI Key: GHASVSINZRGABV-UHFFFAOYSA-N Synonym: 5-fluorouracil PubChem CID: 3385 ChEBI: CHEBI:46345 IUPAC Name: 5-fluoro-1H-pyrimidine-2,4-dione SMILES: C1=C(C(=O)NC(=O)N1)F

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 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-]

Guanosine, 99%, ACROS Organics™

CAS: 118-00-3 Molecular Formula: C10H13N5O5 Molecular Weight (g/mol): 283.23 MDL Number: MFCD00010182 InChI Key: NYHBQMYGNKIUIF-UUOKFMHZSA-N Synonym: 9-beta-d-ribofuranosylguanine PubChem CID: 6802 ChEBI: CHEBI:16750 IUPAC Name: 2-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purin-6-one SMILES: C1=NC2=C(N1C3C(C(C(O3)CO)O)O)NC(=NC2=O)N

Thiamine Hydrochloride 98.5-101.5%, ACROS Organics™

CAS: 67-03-8 Molecular Formula: C12H18Cl2N4OS Molecular Weight (g/mol): 337.263 MDL Number: MFCD00012780 InChI Key: DPJRMOMPQZCRJU-UHFFFAOYSA-M Synonym: aneurine 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™ 2-(2-Methyl-5-nitrophenylamino)-4-(3-pyridyl)pyrimidine, 98%

CAS: 152460-09-8 Molecular Formula: C16H13N5O2 Molecular Weight (g/mol): 307.313 MDL Number: MFCD02179269 InChI Key: OJITWRFPRCHSMX-UHFFFAOYSA-N Synonym: 2-methyl-4-nitro-phenyl-4-pyridin-3-yl-pyrimidin-2-yl-amine PubChem CID: 10686149 IUPAC Name: N-(2-methyl-5-nitrophenyl)-4-pyridin-3-ylpyrimidin-2-amine SMILES: CC1=C(C=C(C=C1)[N+](=O)[O-])NC2=NC=CC(=N2)C3=CN=CC=C3

Alfa Aesar™ O,O'-Bis(trimethylsilyl)-5-fluorouracil, 97%

CAS: 17242-85-2 Molecular Formula: C10H19FN2O2Si2 Molecular Weight (g/mol): 274.442 MDL Number: MFCD00042441 InChI Key: MPVQFVDWJDULDL-UHFFFAOYSA-N Synonym: 2,4-bis trimethylsilyl-5-fluorouraci PubChem CID: 140203 IUPAC Name: (5-fluoro-2-trimethylsilyloxypyrimidin-4-yl)oxy-trimethylsilane SMILES: C[Si](C)(C)OC1=NC(=NC=C1F)O[Si](C)(C)C

Alfa Aesar™ 4,6-Dihydroxypyrimidine, 98%

CAS: 1193-24-4 Molecular Formula: C4H4N2O2 Molecular Weight (g/mol): 112.088 MDL Number: MFCD00016733 InChI Key: DUFGYCAXVIUXIP-UHFFFAOYSA-N Synonym: 4 1h-pyrimidinone, 6-hydroxy PubChem CID: 14512 IUPAC Name: 4-hydroxy-1H-pyrimidin-6-one SMILES: C1=C(N=CNC1=O)O

Alfa Aesar™ 2-Amino-4-(3-bromophenyl)pyrimidine, 95%

CAS: 392307-25-4 Molecular Formula: C10H8BrN3 Molecular Weight (g/mol): 250.099 MDL Number: MFCD01940446 InChI Key: LJDRXCOKWBGOOY-UHFFFAOYSA-N Synonym: 2-amino-4-3-bromophenyl pyrimidine PubChem CID: 4609787 IUPAC Name: 4-(3-bromophenyl)pyrimidin-2-amine SMILES: C1=CC(=CC(=C1)Br)C2=NC(=NC=C2)N

2-Amino-5-hydroxypyrimidine, 95%, ACROS Organics™

CAS: 143489-45-6 Molecular Formula: C4H5N3O Molecular Weight (g/mol): 111.1 InChI Key: NVYMOVCPYONOSF-UHFFFAOYSA-N Synonym: 2-amino-5-hydroxy pyrimidine PubChem CID: 17750388 IUPAC Name: 2-aminopyrimidin-5-ol SMILES: C1=C(C=NC(=N1)N)O

Alfa Aesar™ 4-Chloro-5-methoxy-2-(2-pyridyl)pyrimidine, 97%

CAS: 321432-82-0 Molecular Formula: C10H8ClN3O Molecular Weight (g/mol): 221.644 MDL Number: MFCD00215412 InChI Key: BTHRCJACYHBCHX-UHFFFAOYSA-N Synonym: 4-chloro-5-methoxy-2-2-pyridinyl pyrimidine PubChem CID: 2763500 IUPAC Name: 4-chloro-5-methoxy-2-pyridin-2-ylpyrimidine SMILES: COC1=CN=C(N=C1Cl)C2=CC=CC=N2

2-Amino-4-chloro-7H-pyrrolo[2,3-d]pyrimidine, 97%, Alfa Aesar™

CAS: 84955-31-7 Molecular Formula: C6H5ClN4 Molecular Weight (g/mol): 168.584 MDL Number: MFCD07369229 InChI Key: VIVLSUIQHWGALQ-UHFFFAOYSA-N Synonym: 1h-pyrrolo 2,3-d pyrimidin-2-amine, 4-chloro PubChem CID: 5324413 IUPAC Name: 4-chloro-7H-pyrrolo[2,3-d]pyrimidin-2-amine SMILES: C1=CNC2=C1C(=NC(=N2)N)Cl

Alfa Aesar™ Ethyl 2-trifluoromethyl-4-methylpyrimidine-5-carboxylate, 97%

CAS: 306960-67-8 Molecular Formula: C9H9F3N2O2 Molecular Weight (g/mol): 234.178 MDL Number: MFCD07367386 InChI Key: LYEKBQSEKSEXLT-UHFFFAOYSA-N Synonym: 5-pyrimidinecarboxylicacid, 4-methyl-2-trifluoromethyl-, ethyl ester PubChem CID: 10609709 IUPAC Name: ethyl 4-methyl-2-(trifluoromethyl)pyrimidine-5-carboxylate SMILES: CCOC(=O)C1=CN=C(N=C1C)C(F)(F)F

4-Chloro-5,6,7,8-tetrahydro-1-benzothieno[2,3-d]pyrimidine, 96%, Alfa Aesar™

CAS: 40493-18-3 Molecular Formula: C10H9ClN2S Molecular Weight (g/mol): 224.706 MDL Number: MFCD00463624 InChI Key: PRNJDUCSVXTOTN-UHFFFAOYSA-N Synonym: 1 benzothieno 2,3-d pyrimidine,4-chloro-5,6,7,8-tetrahydro PubChem CID: 699515 IUPAC Name: 4-chloro-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine SMILES: C1CCC2=C(C1)C3=C(S2)N=CN=C3Cl

Alfa Aesar™ 5-Bromo-2-(tert-butoxy)pyrimidine, 95%

CAS: 121487-13-6 Molecular Formula: C8H11BrN2O Molecular Weight (g/mol): 231.093 MDL Number: MFCD09037471 InChI Key: UPKQXRBCDUBUTI-UHFFFAOYSA-N Synonym: 5-bromo-2-tert-butoxy pyrimidine PubChem CID: 14242657 IUPAC Name: 5-bromo-2-[(2-methylpropan-2-yl)oxy]pyrimidine SMILES: CC(C)(C)OC1=NC=C(C=N1)Br

2-chloropyrimidine-5-carboxylic acid, 97%, ACROS Organics™

CAS: 374068-01-6 Molecular Formula: C5H3ClN2O2 Molecular Weight (g/mol): 158.54 InChI Key: DUCXUPKLVVSJKA-UHFFFAOYSA-N Synonym: 2-chloro-5-carboxypyrimidine PubChem CID: 11094906 IUPAC Name: 2-chloropyrimidine-5-carboxylic acid SMILES: C1=C(C=NC(=N1)Cl)C(=O)O

Alfa Aesar™ 5-Methylcytosine, 97%

CAS: 554-01-8 Molecular Formula: C5H7N3O Molecular Weight (g/mol): 125.131 MDL Number: MFCD00233537 InChI Key: LRSASMSXMSNRBT-UHFFFAOYSA-N Synonym: 2 1h-pyrimidinone, 4-amino-5-methyl PubChem CID: 65040 ChEBI: CHEBI:27551 IUPAC Name: 6-amino-5-methyl-1H-pyrimidin-2-one SMILES: CC1=C(NC(=O)N=C1)N

Alfa Aesar™ 4-Amino-6-chloropyrimidine, 98%

CAS: 5305-59-9 Molecular Formula: C4H4ClN3 Molecular Weight (g/mol): 129.547 MDL Number: MFCD00053576 InChI Key: DUKKRSPKJMHASP-UHFFFAOYSA-N Synonym: 4-amino-6-chloropyrimidine PubChem CID: 238012 IUPAC Name: 6-chloropyrimidin-4-amine SMILES: C1=C(N=CN=C1Cl)N

Alfa Aesar™ 2-(Trifluoromethyl)pyrimidine-4-carboxamide, 97%

CAS: 914348-10-0 Molecular Formula: C6H4F3N3O Molecular Weight (g/mol): 191.113 MDL Number: MFCD05662689 InChI Key: LBNILUATVOCQRF-UHFFFAOYSA-N Synonym: 2-trifluoromethyl pyrimidine-4-carboxamide PubChem CID: 17750126 IUPAC Name: 2-(trifluoromethyl)pyrimidine-4-carboxamide SMILES: C1=CN=C(N=C1C(=O)N)C(F)(F)F

2-Amino-4,6-dichloropyrimidine, 95%, ACROS Organics™

CAS: 56-05-3 Molecular Formula: C4H3Cl2N3 Molecular Weight (g/mol): 163.99 MDL Number: MFCD00006090 InChI Key: JPZOAVGMSDSWSW-UHFFFAOYSA-N Synonym: 2-amino-4,6-dichloro pyrimidine PubChem CID: 65522 IUPAC Name: 4,6-dichloropyrimidin-2-amine SMILES: C1=C(N=C(N=C1Cl)N)Cl

Alfa Aesar™ 4-Chloro-6-(trifluoromethyl)pyrimidine, 95%

CAS: 37552-81-1 Molecular Formula: C5H2ClF3N2 Molecular Weight (g/mol): 182.53 MDL Number: MFCD04972771 InChI Key: TYSPDLZOMUDHQZ-UHFFFAOYSA-N Synonym: 4-chloro-6-trifluoromethyl pyrimidine PubChem CID: 11542881 IUPAC Name: 4-chloro-6-(trifluoromethyl)pyrimidine SMILES: C1=C(N=CN=C1Cl)C(F)(F)F

Alfa Aesar™ 4-Benzyloxy-2-chloro-5-hydroxypyrimidine, 95%

CAS: 885952-28-3 Molecular Formula: C11H9ClN2O2 Molecular Weight (g/mol): 236.655 MDL Number: MFCD06798283 InChI Key: URJRKXXIIWYWIS-UHFFFAOYSA-N Synonym: 4-benzyloxy-2-chloro-5-hydroxypyrimidine PubChem CID: 42552982 IUPAC Name: 2-chloro-4-phenylmethoxypyrimidin-5-ol SMILES: C1=CC=C(C=C1)COC2=NC(=NC=C2O)Cl

Alfa Aesar™ Pyrimidine-4-carboxylic acid, 98%

CAS: 31462-59-6 Molecular Formula: C5H4N2O2 Molecular Weight (g/mol): 124.099 MDL Number: MFCD00129737 InChI Key: YPOXGDJGKBXRFP-UHFFFAOYSA-N Synonym: 4-carboxy pyrimidine PubChem CID: 169306 IUPAC Name: pyrimidine-4-carboxylic acid SMILES: C1=CN=CN=C1C(=O)O

Alfa Aesar™ Ethyl 4-amino-2-mercaptopyrimidine-5-carboxylate, 97%

CAS: 774-07-2 Molecular Formula: C7H9N3O2S Molecular Weight (g/mol): 199.228 MDL Number: MFCD00023227 InChI Key: DKTWKRWWQKVQQB-UHFFFAOYSA-N Synonym: 5-pyrimidinecarboxylic acid, 4-amino-2-mercapto-, ethyl ester PubChem CID: 759149 IUPAC Name: ethyl 6-amino-2-sulfanylidene-1H-pyrimidine-5-carboxylate SMILES: CCOC(=O)C1=C(NC(=S)N=C1)N

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