6-amino-9-benzyl-N-methyl-8-oxo-7H-purine-2-carboxamide

C14H14N6O2 — CID 11977603

IUPAC6-amino-9-benzyl-N-methyl-8-oxo-7H-purine-2-carboxamide
SMILESCNC(=O)c1nc(N)c2[nH]c(=O)n(Cc3ccccc3)c2n1
InChIInChI=1S/C14H14N6O2/c1-16-13(21)11-18-10(15)9-12(19-11)20(14(22)17-9)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,16,21)(H,17,22)(H2,15,18,19)
InChIKeyZXGKWLUAXSFNQW-UHFFFAOYSA-N
MW298.31 g/mol
LogP0.11
Rot. Bonds3

About 6-amino-9-benzyl-N-methyl-8-oxo-7H-purine-2-carboxamide

6-amino-9-benzyl-N-methyl-8-oxo-7H-purine-2-carboxamide (PubChem CID 11977603) has the molecular formula C14H14N6O2 and a molecular weight of 298.31 g/mol. Its IUPAC name is 6-amino-9-benzyl-N-methyl-8-oxo-7H-purine-2-carboxamide.

Molecular Properties

Compound Name6-amino-9-benzyl-N-methyl-8-oxo-7H-purine-2-carboxamide
PubChem CID11977603
Molecular FormulaC14H14N6O2
Molecular Weight298.31 g/mol
Exact Mass298.12
IUPAC Name6-amino-9-benzyl-N-methyl-8-oxo-7H-purine-2-carboxamide
SMILESCNC(=O)c1nc(N)c2[nH]c(=O)n(Cc3ccccc3)c2n1
InChIInChI=1S/C14H14N6O2/c1-16-13(21)11-18-10(15)9-12(19-11)20(14(22)17-9)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,16,21)(H,17,22)(H2,15,18,19)
InChIKeyZXGKWLUAXSFNQW-UHFFFAOYSA-N
XLogP0.11
TPSA118.69 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.31
LogP ≤ 50.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

6-amino-9-benzyl-N-ethyl-8-oxo-7H-purine-2-carboxamide
CID 11977604
6-amino-9-benzyl-8-oxo-N-(oxolan-2-ylmethyl)-7H-purine-2-carboxamide
CID 11977607
6-amino-9-benzyl-N-methyl-8-oxo-7H-purine-2-sulfonamide
CID 175036793
(6-amino-9-benzyl-8-oxo-7H-purin-2-yl)methylphosphonic acid
CID 11771998
6-amino-9-benzyl-2-(2-hydroxyethylamino)-7H-purin-8-one
CID 160881281
6-amino-9-benzyl-8-oxo-7H-purine-2-sulfinic acid;propane
CID 175066439
2-[(6-amino-9-benzyl-8-oxo-7H-purin-2-yl)oxy]acetic acid
CID 59382538
6-amino-9-benzyl-2-butyl-7H-purin-8-one
CID 11779385
ethyl 2-[(6-amino-9-benzyl-8-oxo-7H-purin-2-yl)sulfanyl]acetate
CID 67263274
6-amino-9-benzyl-2-(methylsulfanylmethylsulfanyl)-7H-purin-8-one
CID 18332763
6-amino-9-benzyl-2-propylsulfanyloxy-7H-purin-8-one
CID 175203948
N-(6-amino-9-benzyl-8-oxo-7H-purin-2-yl)-2-methoxyethanesulfonamide
CID 172865035

Frequently Asked Questions

What is the IUPAC name of 6-amino-9-benzyl-N-methyl-8-oxo-7H-purine-2-carboxamide?
The IUPAC name of 6-amino-9-benzyl-N-methyl-8-oxo-7H-purine-2-carboxamide (CID 11977603) is 6-amino-9-benzyl-N-methyl-8-oxo-7H-purine-2-carboxamide.
What is the SMILES notation for 6-amino-9-benzyl-N-methyl-8-oxo-7H-purine-2-carboxamide?
The canonical SMILES for 6-amino-9-benzyl-N-methyl-8-oxo-7H-purine-2-carboxamide is CNC(=O)c1nc(N)c2[nH]c(=O)n(Cc3ccccc3)c2n1.
What is the InChIKey of 6-amino-9-benzyl-N-methyl-8-oxo-7H-purine-2-carboxamide?
The InChIKey is ZXGKWLUAXSFNQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N6O2/c1-16-13(21)11-18-10(15)9-12(19-11)20(14(22)17-9)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,16,21)(H,17,22)(H2,15,18,19).
What are the key properties of 6-amino-9-benzyl-N-methyl-8-oxo-7H-purine-2-carboxamide?
6-amino-9-benzyl-N-methyl-8-oxo-7H-purine-2-carboxamide has a molecular weight of 298.31 g/mol, XLogP of 0.11, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-9-benzyl-N-methyl-8-oxo-7H-purine-2-carboxamide is sourced from PubChem (CID 11977603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).