3-methyl-2,3-dihydropyrido[1,2-a]pyrimidin-4-one

C9H10N2O — CID 155814950

IUPAC3-methyl-2,3-dihydropyrido[1,2-a]pyrimidin-4-one
SMILESCC1CN=C2C=CC=CN2C1=O
InChIInChI=1S/C9H10N2O/c1-7-6-10-8-4-2-3-5-11(8)9(7)12/h2-5,7H,6H2,1H3
InChIKeyMSIJZTGWVDAYLO-UHFFFAOYSA-N
MW162.19 g/mol
LogP0.95
Rot. Bonds

About 3-methyl-2,3-dihydropyrido[1,2-a]pyrimidin-4-one

3-methyl-2,3-dihydropyrido[1,2-a]pyrimidin-4-one (PubChem CID 155814950) has the molecular formula C9H10N2O and a molecular weight of 162.19 g/mol. Its IUPAC name is 3-methyl-2,3-dihydropyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3-methyl-2,3-dihydropyrido[1,2-a]pyrimidin-4-one
PubChem CID155814950
Molecular FormulaC9H10N2O
Molecular Weight162.19 g/mol
Exact Mass162.08
IUPAC Name3-methyl-2,3-dihydropyrido[1,2-a]pyrimidin-4-one
SMILESCC1CN=C2C=CC=CN2C1=O
InChIInChI=1S/C9H10N2O/c1-7-6-10-8-4-2-3-5-11(8)9(7)12/h2-5,7H,6H2,1H3
InChIKeyMSIJZTGWVDAYLO-UHFFFAOYSA-N
XLogP0.95
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-methyl-2,3-dihydropyrido[1,2-a]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 3-methyl-2,3-dihydropyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 3-methyl-2,3-dihydropyrido[1,2-a]pyrimidin-4-one (CID 155814950) is 3-methyl-2,3-dihydropyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3-methyl-2,3-dihydropyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3-methyl-2,3-dihydropyrido[1,2-a]pyrimidin-4-one is CC1CN=C2C=CC=CN2C1=O.
What is the InChIKey of 3-methyl-2,3-dihydropyrido[1,2-a]pyrimidin-4-one?
The InChIKey is MSIJZTGWVDAYLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O/c1-7-6-10-8-4-2-3-5-11(8)9(7)12/h2-5,7H,6H2,1H3.
What are the key properties of 3-methyl-2,3-dihydropyrido[1,2-a]pyrimidin-4-one?
3-methyl-2,3-dihydropyrido[1,2-a]pyrimidin-4-one has a molecular weight of 162.19 g/mol, XLogP of 0.95, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2,3-dihydropyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 155814950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).