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Imidazopyrimidines

Organic heterocyclic compounds that contain an imidazole ring fused to a pyrimidine ring. Imidazole is five-membered ring with three carbon atoms and two nitrogen atoms; pyrimidine is a six-membered ring with four carbon atoms and two nitrogen atoms.
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1 – 15 of 101 results
1
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Thermo Scientific Chemicals Adenine, 99%

CAS: 73-24-5 Molecular Formula: C5H5N5 Molecular Weight (g/mol): 135.13 MDL Number: MFCD00041790 InChI Key: GFFGJBXGBJISGV-UHFFFAOYSA-N Synonym: adenine,1h-purin-6-amine,6-aminopurine,9h-purin-6-amine,vitamin b4,adenin,adeninimine,leuco-4,6-amino-1h-purine,6-amino-3h-purine PubChem CID: 190 ChEBI: CHEBI:16708 IUPAC Name: 7H-purin-6-amine SMILES: NC1=C2NC=NC2=NC=N1

PubChem CID 190
CAS 73-24-5
Molecular Weight (g/mol) 135.13
ChEBI CHEBI:16708
MDL Number MFCD00041790
SMILES NC1=C2NC=NC2=NC=N1
Synonym adenine,1h-purin-6-amine,6-aminopurine,9h-purin-6-amine,vitamin b4,adenin,adeninimine,leuco-4,6-amino-1h-purine,6-amino-3h-purine
IUPAC Name 7H-purin-6-amine
InChI Key GFFGJBXGBJISGV-UHFFFAOYSA-N
Molecular Formula C5H5N5
2
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Xanthine, 98%

CAS: 69-89-6 Molecular Formula: C5H4N4O2 Molecular Weight (g/mol): 152.11 MDL Number: MFCD00078453 InChI Key: LRFVTYWOQMYALW-UHFFFAOYSA-N Synonym: xanthine,2,6-dihydroxypurine,xanthin,2,6-dioxopurine,pseudoxanthine,1h-purine-2,6 3h,7h-dione,isoxanthine,xanthic oxide,1h-purine-2,6-diol,9h-purine-2,6-diol PubChem CID: 1188 ChEBI: CHEBI:17712 IUPAC Name: 3,7-dihydropurine-2,6-dione SMILES: C1=NC2=C(N1)C(=O)NC(=O)N2

PubChem CID 1188
CAS 69-89-6
Molecular Weight (g/mol) 152.11
ChEBI CHEBI:17712
MDL Number MFCD00078453
SMILES C1=NC2=C(N1)C(=O)NC(=O)N2
Synonym xanthine,2,6-dihydroxypurine,xanthin,2,6-dioxopurine,pseudoxanthine,1h-purine-2,6 3h,7h-dione,isoxanthine,xanthic oxide,1h-purine-2,6-diol,9h-purine-2,6-diol
IUPAC Name 3,7-dihydropurine-2,6-dione
InChI Key LRFVTYWOQMYALW-UHFFFAOYSA-N
Molecular Formula C5H4N4O2
3
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Tenofovir disoproxil fumarate, 98%, Thermo Scientific Chemicals

CAS: 202138-50-9 Molecular Formula: C19H30N5O10P·C4H4O4 Molecular Weight (g/mol): 635.51 InChI Key: VCMJCVGFSROFHV-WZGZYPNHSA-N Synonym: tenofovir disoproxil fumarate,viread,tenofovir df,unii-ott9j7900i,tenofovir disoproxil fumarate usan,9-r-2-bis isopropoxycarbonyl oxy methoxy phosphinyl methoxy propyl adenine fumarate,9-r-2-bis isopropoxycarbonyl oxy methoxy phosphinyl methoxy propyl adenine, fumarate,r-5-2-6-amino-9h-purin-9-yl-1-methylethoxy methyl-2,4,6,8-tetraoxa-5-phosphanonanedioic acid, bis 1-methylethyl ester, 5-oxide, e-2-butenedioate 1:1,9-r-2-bis isopropoxycarbonyl oxy methoxy phosphinyl methoxy propyl adenine fumarate 1:1 PubChem CID: 6398764 ChEBI: CHEBI:63718 IUPAC Name: [[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate;(E)-but-2-enedioic acid SMILES: CC(C)OC(=O)OCOP(=O)(COC(C)CN1C=NC2=C1N=CN=C2N)OCOC(=O)OC(C)C.C(=CC(=O)O)C(=O)O

PubChem CID 6398764
CAS 202138-50-9
Molecular Weight (g/mol) 635.51
ChEBI CHEBI:63718
SMILES CC(C)OC(=O)OCOP(=O)(COC(C)CN1C=NC2=C1N=CN=C2N)OCOC(=O)OC(C)C.C(=CC(=O)O)C(=O)O
Synonym tenofovir disoproxil fumarate,viread,tenofovir df,unii-ott9j7900i,tenofovir disoproxil fumarate usan,9-r-2-bis isopropoxycarbonyl oxy methoxy phosphinyl methoxy propyl adenine fumarate,9-r-2-bis isopropoxycarbonyl oxy methoxy phosphinyl methoxy propyl adenine, fumarate,r-5-2-6-amino-9h-purin-9-yl-1-methylethoxy methyl-2,4,6,8-tetraoxa-5-phosphanonanedioic acid, bis 1-methylethyl ester, 5-oxide, e-2-butenedioate 1:1,9-r-2-bis isopropoxycarbonyl oxy methoxy phosphinyl methoxy propyl adenine fumarate 1:1
IUPAC Name [[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate;(E)-but-2-enedioic acid
InChI Key VCMJCVGFSROFHV-WZGZYPNHSA-N
Molecular Formula C19H30N5O10P·C4H4O4
4
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Theophylline, 99+%, anhydrous

CAS: 58-55-9 Molecular Formula: C7H8N4O2 Molecular Weight (g/mol): 180.17 MDL Number: MFCD00079619 InChI Key: ZFXYFBGIUFBOJW-UHFFFAOYSA-N Synonym: theophylline,1,3-dimethylxanthine,elixophyllin,theophyllin,theolair,nuelin,theophylline anhydrous,respbid,theocin,theo-dur PubChem CID: 2153 ChEBI: CHEBI:28177 IUPAC Name: 1,3-dimethyl-7H-purine-2,6-dione SMILES: CN1C2=C(C(=O)N(C1=O)C)NC=N2

PubChem CID 2153
CAS 58-55-9
Molecular Weight (g/mol) 180.17
ChEBI CHEBI:28177
MDL Number MFCD00079619
SMILES CN1C2=C(C(=O)N(C1=O)C)NC=N2
Synonym theophylline,1,3-dimethylxanthine,elixophyllin,theophyllin,theolair,nuelin,theophylline anhydrous,respbid,theocin,theo-dur
IUPAC Name 1,3-dimethyl-7H-purine-2,6-dione
InChI Key ZFXYFBGIUFBOJW-UHFFFAOYSA-N
Molecular Formula C7H8N4O2
5
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Thermo Scientific Chemicals Adenine, 99%

CAS: 73-24-5 Molecular Formula: C5H5N5 Molecular Weight (g/mol): 135.13 MDL Number: MFCD00041790 InChI Key: GFFGJBXGBJISGV-UHFFFAOYSA-N Synonym: adenine,1h-purin-6-amine,6-aminopurine,9h-purin-6-amine,vitamin b4,adenin,adeninimine,leuco-4,6-amino-1h-purine,6-amino-3h-purine PubChem CID: 190 ChEBI: CHEBI:16708 IUPAC Name: 7H-purin-6-amine SMILES: NC1=C2NC=NC2=NC=N1

PubChem CID 190
CAS 73-24-5
Molecular Weight (g/mol) 135.13
ChEBI CHEBI:16708
MDL Number MFCD00041790
SMILES NC1=C2NC=NC2=NC=N1
Synonym adenine,1h-purin-6-amine,6-aminopurine,9h-purin-6-amine,vitamin b4,adenin,adeninimine,leuco-4,6-amino-1h-purine,6-amino-3h-purine
IUPAC Name 7H-purin-6-amine
InChI Key GFFGJBXGBJISGV-UHFFFAOYSA-N
Molecular Formula C5H5N5
6
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Caffeine, 1mg/ml in methanol

CAS: 58-08-2 Molecular Formula: C8H10N4O2 Molecular Weight (g/mol): 194.19 MDL Number: MFCD00005758 InChI Key: RYYVLZVUVIJVGH-UHFFFAOYSA-N Synonym: caffeine,1,3,7-trimethylxanthine,guaranine,thein,cafeina,methyltheobromine,koffein,mateina,theine,alert-pep PubChem CID: 2519 ChEBI: CHEBI:27732 IUPAC Name: 1,3,7-trimethylpurine-2,6-dione SMILES: CN1C=NC2=C1C(=O)N(C)C(=O)N2C

PubChem CID 2519
CAS 58-08-2
Molecular Weight (g/mol) 194.19
ChEBI CHEBI:27732
MDL Number MFCD00005758
SMILES CN1C=NC2=C1C(=O)N(C)C(=O)N2C
Synonym caffeine,1,3,7-trimethylxanthine,guaranine,thein,cafeina,methyltheobromine,koffein,mateina,theine,alert-pep
IUPAC Name 1,3,7-trimethylpurine-2,6-dione
InChI Key RYYVLZVUVIJVGH-UHFFFAOYSA-N
Molecular Formula C8H10N4O2
7
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Theophylline monohydrate, 99%

CAS: 5967-84-0 Molecular Formula: C7H10N4O3 Molecular Weight (g/mol): 198.182 MDL Number: MFCD00151659 InChI Key: INQSMEFCAIHTJG-UHFFFAOYSA-N Synonym: theophylline monohydrate,quibron,quibron plus,theo-sav,dimethylxanthine,aerolate jr,theoclear-100,unii-c137dtr5rg,c7h8n4o2.h2o,theoclear l.a.-260 PubChem CID: 91268 IUPAC Name: 1,3-dimethyl-7H-purine-2,6-dione;hydrate SMILES: CN1C2=C(C(=O)N(C1=O)C)NC=N2.O

PubChem CID 91268
CAS 5967-84-0
Molecular Weight (g/mol) 198.182
MDL Number MFCD00151659
SMILES CN1C2=C(C(=O)N(C1=O)C)NC=N2.O
Synonym theophylline monohydrate,quibron,quibron plus,theo-sav,dimethylxanthine,aerolate jr,theoclear-100,unii-c137dtr5rg,c7h8n4o2.h2o,theoclear l.a.-260
IUPAC Name 1,3-dimethyl-7H-purine-2,6-dione;hydrate
InChI Key INQSMEFCAIHTJG-UHFFFAOYSA-N
Molecular Formula C7H10N4O3
8

Thermo Scientific Chemicals 3-Methyladenine, 90+%

CAS: 5142-23-4 Molecular Formula: C6H7N5 Molecular Weight (g/mol): 149.16 MDL Number: MFCD00010531 InChI Key: FSASIHFSFGAIJM-UHFFFAOYSA-N Synonym: 3-methyladenine,3-methyl-3h-purin-6-amine,6-amino-3-methylpurine,3-ma,3h-purin-6-amine, 3-methyl,3-methyl-3h-adenine,n3-methyladenine,adenine, 3-methyl,3-methyl-3h-purin-6-ylamine,3-methyladenine 3-ma PubChem CID: 1673 ChEBI: CHEBI:38635 SMILES: CN1C=NC(N)=C2N=CN=C12

PubChem CID 1673
CAS 5142-23-4
Molecular Weight (g/mol) 149.16
ChEBI CHEBI:38635
MDL Number MFCD00010531
SMILES CN1C=NC(N)=C2N=CN=C12
Synonym 3-methyladenine,3-methyl-3h-purin-6-amine,6-amino-3-methylpurine,3-ma,3h-purin-6-amine, 3-methyl,3-methyl-3h-adenine,n3-methyladenine,adenine, 3-methyl,3-methyl-3h-purin-6-ylamine,3-methyladenine 3-ma
InChI Key FSASIHFSFGAIJM-UHFFFAOYSA-N
Molecular Formula C6H7N5
9
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4,6-Dihydroxypyrazolo[3,4-d]pyrimidine, 99%

CAS: 2465-59-0 Molecular Formula: C5H4N4O2 Molecular Weight (g/mol): 152.11 MDL Number: MFCD00056934 InChI Key: HXNFUBHNUDHIGC-UHFFFAOYSA-N Synonym: oxypurinol,oxipurinol,alloxanthine,1h-pyrazolo 3,4-d pyrimidine-4,6-diol,oxoallopurinol,4,6-dihydroxypyrazolo 3,4-d pyrimidine,1h-pyrazolo 3,4-d pyrimidine-4,6 5h,7h-dione,oxipurinolum,1h-pyrazolo 3,4-d pyrimidine-4,6 2h,5h-dione,alloxanthin van PubChem CID: 4644 ChEBI: CHEBI:28315 IUPAC Name: 1,2-dihydropyrazolo[3,4-d]pyrimidine-4,6-dione SMILES: C1=C2C(=NC(=O)NC2=O)NN1

PubChem CID 4644
CAS 2465-59-0
Molecular Weight (g/mol) 152.11
ChEBI CHEBI:28315
MDL Number MFCD00056934
SMILES C1=C2C(=NC(=O)NC2=O)NN1
Synonym oxypurinol,oxipurinol,alloxanthine,1h-pyrazolo 3,4-d pyrimidine-4,6-diol,oxoallopurinol,4,6-dihydroxypyrazolo 3,4-d pyrimidine,1h-pyrazolo 3,4-d pyrimidine-4,6 5h,7h-dione,oxipurinolum,1h-pyrazolo 3,4-d pyrimidine-4,6 2h,5h-dione,alloxanthin van
IUPAC Name 1,2-dihydropyrazolo[3,4-d]pyrimidine-4,6-dione
InChI Key HXNFUBHNUDHIGC-UHFFFAOYSA-N
Molecular Formula C5H4N4O2
11

CGS 21680 hydrochloride, 99%

CAS: 120225-54-9 Molecular Formula: C23H30ClN7O6 Molecular Weight (g/mol): 535.986 MDL Number: MFCD11045878 InChI Key: QPHVMNOEKKJYJO-XWOZMEDYSA-N Synonym: cgs-21680 hydrochloride hydrate,3-4-2-6-amino-9-2r,3r,4s,5s-5-ethylcarbamoyl-3,4-dihydroxyoxolan-2-yl purin-2-yl amino ethyl phenyl propanoic acid hydrate hydrochloride,c23h29n7o6.clh.h2o,cgs-21680 hydrochloride hydrate, solid,2-p-2-carboxyethyl phenethylamino-5 inverted exclamation marka-n-ethylcarboxamidoadenosine hydrochloride hydrate PubChem CID: 133639586 IUPAC Name: 3-[4-[2-[[6-amino-9-[(2S,4S,5R)-5-(ethylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]purin-2-yl]amino]ethyl]phenyl]propanoic acid;hydrochloride SMILES: CCNC(=O)C1C(C(C(O1)N2C=NC3=C2N=C(N=C3N)NCCC4=CC=C(C=C4)CCC(=O)O)O)O.Cl

PubChem CID 133639586
CAS 120225-54-9
Molecular Weight (g/mol) 535.986
MDL Number MFCD11045878
SMILES CCNC(=O)C1C(C(C(O1)N2C=NC3=C2N=C(N=C3N)NCCC4=CC=C(C=C4)CCC(=O)O)O)O.Cl
Synonym cgs-21680 hydrochloride hydrate,3-4-2-6-amino-9-2r,3r,4s,5s-5-ethylcarbamoyl-3,4-dihydroxyoxolan-2-yl purin-2-yl amino ethyl phenyl propanoic acid hydrate hydrochloride,c23h29n7o6.clh.h2o,cgs-21680 hydrochloride hydrate, solid,2-p-2-carboxyethyl phenethylamino-5 inverted exclamation marka-n-ethylcarboxamidoadenosine hydrochloride hydrate
IUPAC Name 3-[4-[2-[[6-amino-9-[(2S,4S,5R)-5-(ethylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]purin-2-yl]amino]ethyl]phenyl]propanoic acid;hydrochloride
InChI Key QPHVMNOEKKJYJO-XWOZMEDYSA-N
Molecular Formula C23H30ClN7O6
13

Thermo Scientific Chemicals 2'-O-Methyladenosine, 99%

CAS: 2140-79-6 Molecular Formula: C11H15N5O4 Molecular Weight (g/mol): 281.27 MDL Number: MFCD00056002 InChI Key: FPUGCISOLXNPPC-IOSLPCCCSA-N Synonym: 2'-o-methyladenosine,adenosine, 2'-o-methyl,2'-o-methyl adenosine,2r,3r,4r,5r-5-6-amino-9h-purin-9-yl-2-hydroxymethyl-4-methoxytetrahydrofuran-3-ol,unii-02yx82ihz5,chembl73237,2'-o-methyl-adenosine,2r,3r,4r,5r-5-6-aminopurin-9-yl-2-hydroxymethyl-4-methoxyoxolan-3-ol,2r,3r,4r,5r-5-6-aminopurin-9-yl-2-hydroxymethyl-4-methoxy-tetrahydrofuran-3-ol,cordysinin b PubChem CID: 102213 ChEBI: CHEBI:69426 IUPAC Name: (2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)-4-methoxyoxolan-3-ol SMILES: CO[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1N1C=NC2=C(N)N=CN=C12

PubChem CID 102213
CAS 2140-79-6
Molecular Weight (g/mol) 281.27
ChEBI CHEBI:69426
MDL Number MFCD00056002
SMILES CO[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1N1C=NC2=C(N)N=CN=C12
Synonym 2'-o-methyladenosine,adenosine, 2'-o-methyl,2'-o-methyl adenosine,2r,3r,4r,5r-5-6-amino-9h-purin-9-yl-2-hydroxymethyl-4-methoxytetrahydrofuran-3-ol,unii-02yx82ihz5,chembl73237,2'-o-methyl-adenosine,2r,3r,4r,5r-5-6-aminopurin-9-yl-2-hydroxymethyl-4-methoxyoxolan-3-ol,2r,3r,4r,5r-5-6-aminopurin-9-yl-2-hydroxymethyl-4-methoxy-tetrahydrofuran-3-ol,cordysinin b
IUPAC Name (2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)-4-methoxyoxolan-3-ol
InChI Key FPUGCISOLXNPPC-IOSLPCCCSA-N
Molecular Formula C11H15N5O4
14
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7-(2,3-Dihydroxypropyl)theophylline, 99%

CAS: 479-18-5 Molecular Formula: C10H14N4O4 Molecular Weight (g/mol): 254.24 MDL Number: MFCD00005759 InChI Key: KSCFJBIXMNOVSH-UHFFFAOYSA-N Synonym: dyphylline,diprophylline,diphylline,7-2,3-dihydroxypropyl theophylline,diprophyllin,glyphylline,neothylline,lufyllin,aristophyllin,diprofilline PubChem CID: 3182 ChEBI: CHEBI:4728 IUPAC Name: 7-(2,3-dihydroxypropyl)-1,3-dimethylpurine-2,6-dione SMILES: CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(CO)O

PubChem CID 3182
CAS 479-18-5
Molecular Weight (g/mol) 254.24
ChEBI CHEBI:4728
MDL Number MFCD00005759
SMILES CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(CO)O
Synonym dyphylline,diprophylline,diphylline,7-2,3-dihydroxypropyl theophylline,diprophyllin,glyphylline,neothylline,lufyllin,aristophyllin,diprofilline
IUPAC Name 7-(2,3-dihydroxypropyl)-1,3-dimethylpurine-2,6-dione
InChI Key KSCFJBIXMNOVSH-UHFFFAOYSA-N
Molecular Formula C10H14N4O4
15

3-Isobutyl-1-methylxanthine

CAS: 28822-58-4 Molecular Formula: C10H14N4O2 Molecular Weight (g/mol): 222.25 MDL Number: MFCD00005584 InChI Key: APIXJSLKIYYUKG-UHFFFAOYSA-N Synonym: 3-isobutyl-1-methylxanthine,ibmx,isobutylmethylxanthine,1-methyl-3-isobutylxanthine,methylisobutylxanthine,3-isobutyl-1-methyl-1h-purine-2,6 3h,7h-dione,xanthine, 3-isobutyl-1-methyl,3-isobutyl-1-methyxanthine,1h-purine-2,6-dione, 3,7-dihydro-1-methyl-3-2-methylpropyl,methyl-isobutylxanthine PubChem CID: 3758 ChEBI: CHEBI:43253 IUPAC Name: 1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione SMILES: CC(C)CN1C2=C(NC=N2)C(=O)N(C)C1=O

PubChem CID 3758
CAS 28822-58-4
Molecular Weight (g/mol) 222.25
ChEBI CHEBI:43253
MDL Number MFCD00005584
SMILES CC(C)CN1C2=C(NC=N2)C(=O)N(C)C1=O
Synonym 3-isobutyl-1-methylxanthine,ibmx,isobutylmethylxanthine,1-methyl-3-isobutylxanthine,methylisobutylxanthine,3-isobutyl-1-methyl-1h-purine-2,6 3h,7h-dione,xanthine, 3-isobutyl-1-methyl,3-isobutyl-1-methyxanthine,1h-purine-2,6-dione, 3,7-dihydro-1-methyl-3-2-methylpropyl,methyl-isobutylxanthine
IUPAC Name 1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione
InChI Key APIXJSLKIYYUKG-UHFFFAOYSA-N
Molecular Formula C10H14N4O2