6-(6-amino-7H-purin-8-yl)-1H-pyridin-2-one

C10H8N6O — CID 114040234

IUPAC6-(6-amino-7H-purin-8-yl)-1H-pyridin-2-one
SMILESNc1ncnc2nc(-c3cccc(=O)[nH]3)[nH]c12
InChIInChI=1S/C10H8N6O/c11-8-7-10(13-4-12-8)16-9(15-7)5-2-1-3-6(17)14-5/h1-4H,(H,14,17)(H3,11,12,13,15,16)
InChIKeyYBXMDGGGSFBITD-UHFFFAOYSA-N
MW228.22 g/mol
LogP0.29
Rot. Bonds1

About 6-(6-amino-7H-purin-8-yl)-1H-pyridin-2-one

6-(6-amino-7H-purin-8-yl)-1H-pyridin-2-one (PubChem CID 114040234) has the molecular formula C10H8N6O and a molecular weight of 228.22 g/mol. Its IUPAC name is 6-(6-amino-7H-purin-8-yl)-1H-pyridin-2-one.

Molecular Properties

Compound Name6-(6-amino-7H-purin-8-yl)-1H-pyridin-2-one
PubChem CID114040234
Molecular FormulaC10H8N6O
Molecular Weight228.22 g/mol
Exact Mass228.08
IUPAC Name6-(6-amino-7H-purin-8-yl)-1H-pyridin-2-one
SMILESNc1ncnc2nc(-c3cccc(=O)[nH]3)[nH]c12
InChIInChI=1S/C10H8N6O/c11-8-7-10(13-4-12-8)16-9(15-7)5-2-1-3-6(17)14-5/h1-4H,(H,14,17)(H3,11,12,13,15,16)
InChIKeyYBXMDGGGSFBITD-UHFFFAOYSA-N
XLogP0.29
TPSA113.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.22
LogP ≤ 50.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 6-(6-amino-7H-purin-8-yl)-1H-pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-(3-iodophenyl)-7H-purin-6-amine
CID 114608191
8-(2-ethylphenyl)-7H-purin-6-amine
CID 114608258
8-quinolin-8-yl-7H-purin-6-amine
CID 114608195
8-pyren-1-yl-7H-purin-6-amine
CID 16732486
8-(3-bromo-2-chlorophenyl)-7H-purin-6-amine
CID 114608330
8-quinolin-2-yl-7H-purin-6-amine
CID 114608266
8-[2-fluoro-3-(trifluoromethyl)phenyl]-7H-purin-6-amine
CID 114608409
8-(1-methylindazol-3-yl)-7H-purin-6-amine
CID 136785887
8-[2-(trifluoromethyl)phenyl]-7H-purin-6-amine
CID 114608201
8-(5-chlorothiophen-2-yl)-7H-purin-6-amine
CID 114608421
8-quinolin-4-yl-7H-purin-6-amine
CID 114608196
8-(3,5-dimethylphenyl)-7H-purin-6-amine
CID 114608308

Frequently Asked Questions

What is the IUPAC name of 6-(6-amino-7H-purin-8-yl)-1H-pyridin-2-one?
The IUPAC name of 6-(6-amino-7H-purin-8-yl)-1H-pyridin-2-one (CID 114040234) is 6-(6-amino-7H-purin-8-yl)-1H-pyridin-2-one.
What is the SMILES notation for 6-(6-amino-7H-purin-8-yl)-1H-pyridin-2-one?
The canonical SMILES for 6-(6-amino-7H-purin-8-yl)-1H-pyridin-2-one is Nc1ncnc2nc(-c3cccc(=O)[nH]3)[nH]c12.
What is the InChIKey of 6-(6-amino-7H-purin-8-yl)-1H-pyridin-2-one?
The InChIKey is YBXMDGGGSFBITD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N6O/c11-8-7-10(13-4-12-8)16-9(15-7)5-2-1-3-6(17)14-5/h1-4H,(H,14,17)(H3,11,12,13,15,16).
What are the key properties of 6-(6-amino-7H-purin-8-yl)-1H-pyridin-2-one?
6-(6-amino-7H-purin-8-yl)-1H-pyridin-2-one has a molecular weight of 228.22 g/mol, XLogP of 0.29, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-amino-7H-purin-8-yl)-1H-pyridin-2-one is sourced from PubChem (CID 114040234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).