9-methyl-2,3-dihydro-1H-purin-6-one

C6H8N4O — CID 121345580

IUPAC9-methyl-2,3-dihydro-1H-purin-6-one
SMILESCn1cnc2c1NCNC2=O
InChIInChI=1S/C6H8N4O/c1-10-3-9-4-5(10)7-2-8-6(4)11/h3,7H,2H2,1H3,(H,8,11)
InChIKeyYZNANVHMCHFYQG-UHFFFAOYSA-N
MW152.16 g/mol
LogP-0.47
Rot. Bonds

About 9-methyl-2,3-dihydro-1H-purin-6-one

9-methyl-2,3-dihydro-1H-purin-6-one (PubChem CID 121345580) has the molecular formula C6H8N4O and a molecular weight of 152.16 g/mol. Its IUPAC name is 9-methyl-2,3-dihydro-1H-purin-6-one.

Molecular Properties

Compound Name9-methyl-2,3-dihydro-1H-purin-6-one
PubChem CID121345580
Molecular FormulaC6H8N4O
Molecular Weight152.16 g/mol
Exact Mass152.07
IUPAC Name9-methyl-2,3-dihydro-1H-purin-6-one
SMILESCn1cnc2c1NCNC2=O
InChIInChI=1S/C6H8N4O/c1-10-3-9-4-5(10)7-2-8-6(4)11/h3,7H,2H2,1H3,(H,8,11)
InChIKeyYZNANVHMCHFYQG-UHFFFAOYSA-N
XLogP-0.47
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.16
LogP ≤ 5-0.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 9-methyl-2,3-dihydro-1H-purin-6-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

N,9-dimethyl-2,3-dihydro-1H-purin-6-imine
CID 148696430
3,7-dimethyl-8,9-dihydropurin-6-one
CID 174323807
3-[2-(6-oxo-2,3-dihydro-1H-purin-9-yl)ethyl-(2-phosphonoethyl)amino]propanoic acid
CID 172636495
3-methyl-4,5-dihydrocyclopenta[d]imidazol-6-one
CID 83872240
2,9-dimethyl-3,6-dihydropurine
CID 142059765
6-(3-fluoroazetidin-1-yl)-3-methylpyrimidin-4-one
CID 171999304
6-amino-3-methylpyrimidin-4-one;ethane
CID 155738630
5-(4-fluorophenyl)-3-methyl-6-pyridin-4-ylpyrimidin-4-one
CID 21045476
2-fluoro-2,9-dimethyl-3H-purin-6-amine
CID 167120993
(4S)-4-(3-methylimidazol-4-yl)pyrrolidin-2-one
CID 97031037
3,4-dimethylimidazo[4,5-b]pyridin-7-one
CID 139493632
9-methyl-3,6-dihydropurin-6-amine
CID 59926192

Frequently Asked Questions

What is the IUPAC name of 9-methyl-2,3-dihydro-1H-purin-6-one?
The IUPAC name of 9-methyl-2,3-dihydro-1H-purin-6-one (CID 121345580) is 9-methyl-2,3-dihydro-1H-purin-6-one.
What is the SMILES notation for 9-methyl-2,3-dihydro-1H-purin-6-one?
The canonical SMILES for 9-methyl-2,3-dihydro-1H-purin-6-one is Cn1cnc2c1NCNC2=O.
What is the InChIKey of 9-methyl-2,3-dihydro-1H-purin-6-one?
The InChIKey is YZNANVHMCHFYQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N4O/c1-10-3-9-4-5(10)7-2-8-6(4)11/h3,7H,2H2,1H3,(H,8,11).
What are the key properties of 9-methyl-2,3-dihydro-1H-purin-6-one?
9-methyl-2,3-dihydro-1H-purin-6-one has a molecular weight of 152.16 g/mol, XLogP of -0.47, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-2,3-dihydro-1H-purin-6-one is sourced from PubChem (CID 121345580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).