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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16 – 30 of 441 results

3-Isobutyl-1-Methylxanthine, MP Biomedicals™

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)-2,3,6,7-tetrahydro-1H-purine-2,6-dione SMILES: CC(C)CN1C2=C(NC=N2)C(=O)N(C)C1=O

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Specifications

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)-2,3,6,7-tetrahydro-1H-purine-2,6-dione
InChI Key	APIXJSLKIYYUKG-UHFFFAOYSA-N
Molecular Formula	C10H14N4O2

Caffeine, citrated

CAS: 69-22-7 Molecular Formula: C14H18N4O9 Molecular Weight (g/mol): 386.32 MDL Number: MFCD00044986 InChI Key: RCQXSQPPHJPGOF-UHFFFAOYSA-N Synonym: caffeine citrate,caffeine, citrated,caffeina citrate,citrated caffein,caffeine citrate 1:1,caffeine citrated,unii-u26eo4675q,citric acid, compd. with caffeine 1:1,1,2,3-propanetricarboxylic acid, 2-hydroxy-, mixt. with 3,7-dihydro-1,3,7-trimethyl-1h-purine-2,6-dione,dsstox_cid_26938 PubChem CID: 6241 IUPAC Name: 2-hydroxypropane-1,2,3-tricarboxylic acid;1,3,7-trimethylpurine-2,6-dione SMILES: OC(=O)CC(O)(CC(O)=O)C(O)=O.CN1C=NC2=C1C(=O)N(C)C(=O)N2C

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Specifications

PubChem CID	6241
CAS	69-22-7
Molecular Weight (g/mol)	386.32
MDL Number	MFCD00044986
SMILES	OC(=O)CC(O)(CC(O)=O)C(O)=O.CN1C=NC2=C1C(=O)N(C)C(=O)N2C
Synonym	caffeine citrate,caffeine, citrated,caffeina citrate,citrated caffein,caffeine citrate 1:1,caffeine citrated,unii-u26eo4675q,citric acid, compd. with caffeine 1:1,1,2,3-propanetricarboxylic acid, 2-hydroxy-, mixt. with 3,7-dihydro-1,3,7-trimethyl-1h-purine-2,6-dione,dsstox_cid_26938
IUPAC Name	2-hydroxypropane-1,2,3-tricarboxylic acid;1,3,7-trimethylpurine-2,6-dione
InChI Key	RCQXSQPPHJPGOF-UHFFFAOYSA-N
Molecular Formula	C14H18N4O9

6-Thioguanine, 98%

CAS: 154-42-7 Molecular Formula: C5H5N5S Molecular Weight (g/mol): 167.19 MDL Number: MFCD00233553 InChI Key: WYWHKKSPHMUBEB-UHFFFAOYSA-N Synonym: 6-thioguanine,thioguanine,tioguanine,2-amino-6-mercaptopurine,6-mercaptoguanine,tioguanin,tabloid,lanvis,2-amino-6-purinethiol,2-aminopurine-6-thiol PubChem CID: 2723601 ChEBI: CHEBI:9555 SMILES: NC1=NC(=S)C2=C(N1)N=CN2

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Specifications

PubChem CID	2723601
CAS	154-42-7
Molecular Weight (g/mol)	167.19
ChEBI	CHEBI:9555
MDL Number	MFCD00233553
SMILES	NC1=NC(=S)C2=C(N1)N=CN2
Synonym	6-thioguanine,thioguanine,tioguanine,2-amino-6-mercaptopurine,6-mercaptoguanine,tioguanin,tabloid,lanvis,2-amino-6-purinethiol,2-aminopurine-6-thiol
InChI Key	WYWHKKSPHMUBEB-UHFFFAOYSA-N
Molecular Formula	C5H5N5S

Thermo Scientific Chemicals Adenine sulfate, 98+%

CAS: 321-30-2 Molecular Formula: C10H12N10O4S Molecular Weight (g/mol): 368.33 MDL Number: MFCD00213655 InChI Key: LQXHSCOPYJCOMD-UHFFFAOYSA-N Synonym: adenine sulfate,adenine hemisulfate,7h-purin-6-amine sulfate 2:1,adeninsulfat,adeninium sulfate,adenine sulfate 2:1,adeninsulfat german,1h-purin-6-amine, sulfate 2:1,diadenine sulphate,unii-741gjf3k9m PubChem CID: 9449 IUPAC Name: 7H-purin-6-amine;sulfuric acid SMILES: OS(O)(=O)=O.NC1=C2NC=NC2=NC=N1.NC1=C2NC=NC2=NC=N1

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Specifications

PubChem CID	9449
CAS	321-30-2
Molecular Weight (g/mol)	368.33
MDL Number	MFCD00213655
SMILES	OS(O)(=O)=O.NC1=C2NC=NC2=NC=N1.NC1=C2NC=NC2=NC=N1
Synonym	adenine sulfate,adenine hemisulfate,7h-purin-6-amine sulfate 2:1,adeninsulfat,adeninium sulfate,adenine sulfate 2:1,adeninsulfat german,1h-purin-6-amine, sulfate 2:1,diadenine sulphate,unii-741gjf3k9m
IUPAC Name	7H-purin-6-amine;sulfuric acid
InChI Key	LQXHSCOPYJCOMD-UHFFFAOYSA-N
Molecular Formula	C10H12N10O4S

Caffeine anhydrous, 99.7%, MP Biomedicals™

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-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione SMILES: CN1C=NC2=C1C(=O)N(C)C(=O)N2C

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Specifications

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-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
InChI Key	RYYVLZVUVIJVGH-UHFFFAOYSA-N
Molecular Formula	C8H10N4O2

Thermo Scientific Chemicals Adenine hydrochloride, 98+%, cont. up to ca 5% water

CAS: 2922-28-3 Molecular Formula: C5H6ClN5 Molecular Weight (g/mol): 171.59 MDL Number: MFCD00038990 InChI Key: UQVDQSWZQXDUJB-UHFFFAOYSA-N Synonym: adenine hydrochloride,7h-purin-6-amine hydrochloride,6-aminopurine hydrochloride,1h-purin-6-amine, monohydrochloride,adenine monohydrochloride,unii-364h11m7od,adenine hcl,1h-purin-6-amine, hydrochloride,9h-purin-6-amine, hydrochloride 1:?,9h-purin-6-amine, hydrochloride 1:1 PubChem CID: 76219 IUPAC Name: 7H-purin-6-amine;hydrochloride SMILES: Cl.NC1=C2NC=NC2=NC=N1

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Specifications

PubChem CID	76219
CAS	2922-28-3
Molecular Weight (g/mol)	171.59
MDL Number	MFCD00038990
SMILES	Cl.NC1=C2NC=NC2=NC=N1
Synonym	adenine hydrochloride,7h-purin-6-amine hydrochloride,6-aminopurine hydrochloride,1h-purin-6-amine, monohydrochloride,adenine monohydrochloride,unii-364h11m7od,adenine hcl,1h-purin-6-amine, hydrochloride,9h-purin-6-amine, hydrochloride 1:?,9h-purin-6-amine, hydrochloride 1:1
IUPAC Name	7H-purin-6-amine;hydrochloride
InChI Key	UQVDQSWZQXDUJB-UHFFFAOYSA-N
Molecular Formula	C5H6ClN5

Caffeine, 98.5%, specified according to the req. of USP/BP

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

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Specifications

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

Thermo Scientific Chemicals Adenine sulfate, 98%, synthetic

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Specifications

PubChem CID	9449
CAS	321-30-2
Molecular Weight (g/mol)	368.33
MDL Number	MFCD00213655
SMILES	OS(O)(=O)=O.NC1=C2NC=NC2=NC=N1.NC1=C2NC=NC2=NC=N1
Synonym	adenine sulfate,adenine hemisulfate,7h-purin-6-amine sulfate 2:1,adeninsulfat,adeninium sulfate,adenine sulfate 2:1,adeninsulfat german,1h-purin-6-amine, sulfate 2:1,diadenine sulphate,unii-741gjf3k9m
IUPAC Name	7H-purin-6-amine;sulfuric acid
InChI Key	LQXHSCOPYJCOMD-UHFFFAOYSA-N
Molecular Formula	C10H12N10O4S

(R)-9-(2-Hydroxypropyl)adenine 98.0+%, TCI America™

CAS: 14047-28-0 Molecular Formula: C8H11N5O Molecular Weight (g/mol): 193.21 MDL Number: MFCD07369451 InChI Key: MJZYTEBKXLVLMY-UHFFFAOYNA-N Synonym: (R)-6-Amino-9-(2-hydroxypropyl)purine PubChem CID: 445211 IUPAC Name: 1-(6-amino-9H-purin-9-yl)propan-2-ol SMILES: CC(O)CN1C=NC2=C(N)N=CN=C12

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Specifications

PubChem CID	445211
CAS	14047-28-0
Molecular Weight (g/mol)	193.21
MDL Number	MFCD07369451
SMILES	CC(O)CN1C=NC2=C(N)N=CN=C12
Synonym	(R)-6-Amino-9-(2-hydroxypropyl)purine
IUPAC Name	1-(6-amino-9H-purin-9-yl)propan-2-ol
InChI Key	MJZYTEBKXLVLMY-UHFFFAOYNA-N
Molecular Formula	C8H11N5O

MilliporeSigma™ Adenine, ≥98%, Calbiochem™,

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

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Specifications

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

7-(2-Chloroethyl)theophylline, 97%, Thermo Scientific Chemicals

CAS: 5878-61-5 Molecular Formula: C9H11ClN4O2 Molecular Weight (g/mol): 242.663 MDL Number: MFCD00005760 InChI Key: QCIARNIKNKKHFH-UHFFFAOYSA-N Synonym: 7-2-chloroethyl theophylline,benaphyllin,eupnophile,7-chloroethyl theophylline,theophylline, 7-2-chloroethyl,beta-chloroethyltheophylline,unii-y7202un6b7,7-beta-chlorethyl theophylline,7-chloroethyltheophylline,1h-purine-2,6-dione, 7-2-chloroethyl-3,7-dihydro-1,3-dimethyl PubChem CID: 1882 IUPAC Name: 7-(2-chloroethyl)-1,3-dimethylpurine-2,6-dione SMILES: CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCl

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Specifications

PubChem CID	1882
CAS	5878-61-5
Molecular Weight (g/mol)	242.663
MDL Number	MFCD00005760
SMILES	CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCl
Synonym	7-2-chloroethyl theophylline,benaphyllin,eupnophile,7-chloroethyl theophylline,theophylline, 7-2-chloroethyl,beta-chloroethyltheophylline,unii-y7202un6b7,7-beta-chlorethyl theophylline,7-chloroethyltheophylline,1h-purine-2,6-dione, 7-2-chloroethyl-3,7-dihydro-1,3-dimethyl
IUPAC Name	7-(2-chloroethyl)-1,3-dimethylpurine-2,6-dione
InChI Key	QCIARNIKNKKHFH-UHFFFAOYSA-N
Molecular Formula	C9H11ClN4O2

2,6-Diaminopurine, 98%

CAS: 1904-98-9 Molecular Formula: C₅H₆N₆ Molecular Weight (g/mol): 150.14 MDL Number: MFCD00071537 InChI Key: MSSXOMSJDRHRMC-UHFFFAOYSA-N Synonym: 2,6-diaminopurine,9h-purine-2,6-diamine,2-aminoadenine,1h-purine-2,6-diamine,2,6-diamino-9h-purine,purine, 2,6-diamino,purine-2,6-diyldiamine,unii-49p95bau4z,ccris 923,purine-2,6-diamine PubChem CID: 30976 ChEBI: CHEBI:40235 IUPAC Name: 7H-purine-2,6-diamine SMILES: C1=NC2=C(N1)C(=NC(=N2)N)N

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Specifications

PubChem CID	30976
CAS	1904-98-9
Molecular Weight (g/mol)	150.14
ChEBI	CHEBI:40235
MDL Number	MFCD00071537
SMILES	C1=NC2=C(N1)C(=NC(=N2)N)N
Synonym	2,6-diaminopurine,9h-purine-2,6-diamine,2-aminoadenine,1h-purine-2,6-diamine,2,6-diamino-9h-purine,purine, 2,6-diamino,purine-2,6-diyldiamine,unii-49p95bau4z,ccris 923,purine-2,6-diamine
IUPAC Name	7H-purine-2,6-diamine
InChI Key	MSSXOMSJDRHRMC-UHFFFAOYSA-N
Molecular Formula	C₅H₆N₆

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

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Specifications

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

2-Fluoroadenine, 97%

CAS: 700-49-2 Molecular Formula: C5H4FN5 Molecular Weight (g/mol): 153.12 MDL Number: MFCD01632749 InChI Key: WKMPTBDYDNUJLF-UHFFFAOYSA-N Synonym: 2-fluoroadenine,2-fluoro-6-aminopurine,2-fluoro-1h-purin-6-amine,2-fad,2-fluoro-9h-purin-6-amine,6-amino-2-fluoropurine,2-fluoro-7 9 h-purin-6-ylamine,purine, 6-amino-2-fluoro,fluoroadenine,1h-purin-6-amine, 2-fluoro PubChem CID: 12790 ChEBI: CHEBI:72457 IUPAC Name: 2-fluoro-7H-purin-6-amine SMILES: NC1=C2NC=NC2=NC(F)=N1

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Specifications

PubChem CID	12790
CAS	700-49-2
Molecular Weight (g/mol)	153.12
ChEBI	CHEBI:72457
MDL Number	MFCD01632749
SMILES	NC1=C2NC=NC2=NC(F)=N1
Synonym	2-fluoroadenine,2-fluoro-6-aminopurine,2-fluoro-1h-purin-6-amine,2-fad,2-fluoro-9h-purin-6-amine,6-amino-2-fluoropurine,2-fluoro-7 9 h-purin-6-ylamine,purine, 6-amino-2-fluoro,fluoroadenine,1h-purin-6-amine, 2-fluoro
IUPAC Name	2-fluoro-7H-purin-6-amine
InChI Key	WKMPTBDYDNUJLF-UHFFFAOYSA-N
Molecular Formula	C5H4FN5

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

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Specifications

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

Imidazopyrimidines

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