6-amino-N-(4-chlorophenyl)purine-9-carboxamide

C12H9ClN6O — CID 134094128

IUPAC6-amino-N-(4-chlorophenyl)purine-9-carboxamide
SMILESNc1ncnc2c1ncn2C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C12H9ClN6O/c13-7-1-3-8(4-2-7)18-12(20)19-6-17-9-10(14)15-5-16-11(9)19/h1-6H,(H,18,20)(H2,14,15,16)
InChIKeyCFTCGGRBFITROX-UHFFFAOYSA-N
MW288.70 g/mol
LogP2.14
Rot. Bonds1

About 6-amino-N-(4-chlorophenyl)purine-9-carboxamide

6-amino-N-(4-chlorophenyl)purine-9-carboxamide (PubChem CID 134094128) has the molecular formula C12H9ClN6O and a molecular weight of 288.70 g/mol. Its IUPAC name is 6-amino-N-(4-chlorophenyl)purine-9-carboxamide.

Molecular Properties

Compound Name6-amino-N-(4-chlorophenyl)purine-9-carboxamide
PubChem CID134094128
Molecular FormulaC12H9ClN6O
Molecular Weight288.70 g/mol
Exact Mass288.05
IUPAC Name6-amino-N-(4-chlorophenyl)purine-9-carboxamide
SMILESNc1ncnc2c1ncn2C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C12H9ClN6O/c13-7-1-3-8(4-2-7)18-12(20)19-6-17-9-10(14)15-5-16-11(9)19/h1-6H,(H,18,20)(H2,14,15,16)
InChIKeyCFTCGGRBFITROX-UHFFFAOYSA-N
XLogP2.14
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.70
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(6-aminopurin-9-yl)ethanone
CID 56662952
4-amino-3-(4-chlorophenyl)-N-phenylpyrazolo[3,4-d]pyrimidine-1-carboxamide
CID 59633585
6-[methyl(phenylcarbamoyl)amino]-N-phenylpurine-9-carboxamide
CID 90672566
2-(6-aminopurin-9-yl)-N-(4-bromophenyl)acetamide
CID 62664724
(6-aminopurin-9-yl)urea
CID 57269838
1-[3-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]propyl]-3-(4-chlorophenyl)urea
CID 57406777
1-[4-(6-aminopurin-9-yl)phenyl]-3-[3,5-bis(trifluoromethyl)phenyl]urea
CID 23154952
5-amino-N-(4-chlorophenyl)-3-methylpyrazole-1-carboxamide
CID 110463822
1-[5-(4-amino-7-methylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-3-(4-chlorophenyl)urea
CID 68907412
4-(6-aminopurin-9-yl)-N-(4-methoxyphenyl)cyclohexane-1-carboxamide
CID 166634318
(E)-2-(6-aminopurin-9-yl)-3-hydroxyprop-2-enenitrile
CID 10774461
(2R)-2-amino-2-(6-aminopurin-9-yl)acetic acid
CID 40601282

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-(4-chlorophenyl)purine-9-carboxamide?
The IUPAC name of 6-amino-N-(4-chlorophenyl)purine-9-carboxamide (CID 134094128) is 6-amino-N-(4-chlorophenyl)purine-9-carboxamide.
What is the SMILES notation for 6-amino-N-(4-chlorophenyl)purine-9-carboxamide?
The canonical SMILES for 6-amino-N-(4-chlorophenyl)purine-9-carboxamide is Nc1ncnc2c1ncn2C(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of 6-amino-N-(4-chlorophenyl)purine-9-carboxamide?
The InChIKey is CFTCGGRBFITROX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN6O/c13-7-1-3-8(4-2-7)18-12(20)19-6-17-9-10(14)15-5-16-11(9)19/h1-6H,(H,18,20)(H2,14,15,16).
What are the key properties of 6-amino-N-(4-chlorophenyl)purine-9-carboxamide?
6-amino-N-(4-chlorophenyl)purine-9-carboxamide has a molecular weight of 288.70 g/mol, XLogP of 2.14, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-(4-chlorophenyl)purine-9-carboxamide is sourced from PubChem (CID 134094128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).