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

C9H9N3O2 — CID 167506140

IUPAC7-methoxy-2-methyl-3H-pyrido[2,3-d]pyrimidin-4-one
SMILESCOc1ccc2c(=O)[nH]c(C)nc2n1
InChIInChI=1S/C9H9N3O2/c1-5-10-8-6(9(13)11-5)3-4-7(12-8)14-2/h3-4H,1-2H3,(H,10,11,12,13)
InChIKeyWTHHDIVCNLJVMS-UHFFFAOYSA-N
MW191.19 g/mol
LogP0.64
Rot. Bonds1

About 7-methoxy-2-methyl-3H-pyrido[2,3-d]pyrimidin-4-one

7-methoxy-2-methyl-3H-pyrido[2,3-d]pyrimidin-4-one (PubChem CID 167506140) has the molecular formula C9H9N3O2 and a molecular weight of 191.19 g/mol. Its IUPAC name is 7-methoxy-2-methyl-3H-pyrido[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-methoxy-2-methyl-3H-pyrido[2,3-d]pyrimidin-4-one
PubChem CID167506140
Molecular FormulaC9H9N3O2
Molecular Weight191.19 g/mol
Exact Mass191.07
IUPAC Name7-methoxy-2-methyl-3H-pyrido[2,3-d]pyrimidin-4-one
SMILESCOc1ccc2c(=O)[nH]c(C)nc2n1
InChIInChI=1S/C9H9N3O2/c1-5-10-8-6(9(13)11-5)3-4-7(12-8)14-2/h3-4H,1-2H3,(H,10,11,12,13)
InChIKeyWTHHDIVCNLJVMS-UHFFFAOYSA-N
XLogP0.64
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 7-methoxy-2-methyl-3H-pyrido[2,3-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

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-2-methyl-3H-pyrido[2,3-d]pyrimidin-4-one?
The IUPAC name of 7-methoxy-2-methyl-3H-pyrido[2,3-d]pyrimidin-4-one (CID 167506140) is 7-methoxy-2-methyl-3H-pyrido[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 7-methoxy-2-methyl-3H-pyrido[2,3-d]pyrimidin-4-one?
The canonical SMILES for 7-methoxy-2-methyl-3H-pyrido[2,3-d]pyrimidin-4-one is COc1ccc2c(=O)[nH]c(C)nc2n1.
What is the InChIKey of 7-methoxy-2-methyl-3H-pyrido[2,3-d]pyrimidin-4-one?
The InChIKey is WTHHDIVCNLJVMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O2/c1-5-10-8-6(9(13)11-5)3-4-7(12-8)14-2/h3-4H,1-2H3,(H,10,11,12,13).
What are the key properties of 7-methoxy-2-methyl-3H-pyrido[2,3-d]pyrimidin-4-one?
7-methoxy-2-methyl-3H-pyrido[2,3-d]pyrimidin-4-one has a molecular weight of 191.19 g/mol, XLogP of 0.64, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2-methyl-3H-pyrido[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 167506140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).