2-methyl-3H-pyrido[3,2-d]pyrimidin-4-one

C8H7N3O — CID 135703359

IUPAC2-methyl-3H-pyrido[3,2-d]pyrimidin-4-one
SMILESCc1nc2cccnc2c(=O)[nH]1
InChIInChI=1S/C8H7N3O/c1-5-10-6-3-2-4-9-7(6)8(12)11-5/h2-4H,1H3,(H,10,11,12)
InChIKeyDLFCDDAIXWHFDK-UHFFFAOYSA-N
MW161.16 g/mol
LogP0.63
Rot. Bonds

About 2-methyl-3H-pyrido[3,2-d]pyrimidin-4-one

2-methyl-3H-pyrido[3,2-d]pyrimidin-4-one (PubChem CID 135703359) has the molecular formula C8H7N3O and a molecular weight of 161.16 g/mol. Its IUPAC name is 2-methyl-3H-pyrido[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-methyl-3H-pyrido[3,2-d]pyrimidin-4-one
PubChem CID135703359
Molecular FormulaC8H7N3O
Molecular Weight161.16 g/mol
Exact Mass161.06
IUPAC Name2-methyl-3H-pyrido[3,2-d]pyrimidin-4-one
SMILESCc1nc2cccnc2c(=O)[nH]1
InChIInChI=1S/C8H7N3O/c1-5-10-6-3-2-4-9-7(6)8(12)11-5/h2-4H,1H3,(H,10,11,12)
InChIKeyDLFCDDAIXWHFDK-UHFFFAOYSA-N
XLogP0.63
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-methyl-3H-pyrido[3,2-d]pyrimidin-4-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

2-Pyridinecarboxamide
CID 15070
6-Methyl-2-(pyridin-2-yl)pyrimidin-4-ol
CID 135472985
Pyridine-2-carboxylic acid (2-amino-phenyl)-amide
CID 817096
Cyto8C5
CID 135435523
N-cyclohexylpyridine-2-carboxamide
CID 10608271
N-methylpyridine-2-carboxamide
CID 12272691
1,5-Naphthyridin-4-ol
CID 224584
3H,4H-pyrido(3,2-d)pyrimidin-4-one
CID 135703334
(E)-2-(2-(pyridin-2-yl)vinyl)quinazolin-4(3H)-one
CID 135548602
6-methyl-N-(6-methylpyridin-2-yl)-3-(pyridin-3-ylamino)pyridine-2-carboxamide
CID 11220891
3-Amino-6-methyl-N-(6-methyl-2-pyridinyl)-2-pyrazinecarboxamide
CID 11402257
2-(2-Pyridinyl)-6-(trifluoromethyl)-4-pyrimidinol
CID 135409931

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3H-pyrido[3,2-d]pyrimidin-4-one?
The IUPAC name of 2-methyl-3H-pyrido[3,2-d]pyrimidin-4-one (CID 135703359) is 2-methyl-3H-pyrido[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 2-methyl-3H-pyrido[3,2-d]pyrimidin-4-one?
The canonical SMILES for 2-methyl-3H-pyrido[3,2-d]pyrimidin-4-one is Cc1nc2cccnc2c(=O)[nH]1.
What is the InChIKey of 2-methyl-3H-pyrido[3,2-d]pyrimidin-4-one?
The InChIKey is DLFCDDAIXWHFDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O/c1-5-10-6-3-2-4-9-7(6)8(12)11-5/h2-4H,1H3,(H,10,11,12).
What are the key properties of 2-methyl-3H-pyrido[3,2-d]pyrimidin-4-one?
2-methyl-3H-pyrido[3,2-d]pyrimidin-4-one has a molecular weight of 161.16 g/mol, XLogP of 0.63, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3H-pyrido[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 135703359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).