2-benzyl-6-methylpyrido[1,2-a]pyrimidin-4-one

C16H14N2O — CID 11470702

IUPAC2-benzyl-6-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1cccc2nc(Cc3ccccc3)cc(=O)n12
InChIInChI=1S/C16H14N2O/c1-12-6-5-9-15-17-14(11-16(19)18(12)15)10-13-7-3-2-4-8-13/h2-9,11H,10H2,1H3
InChIKeyZRPMTFKVIJTKEQ-UHFFFAOYSA-N
MW250.30 g/mol
LogP2.59
Rot. Bonds2

About 2-benzyl-6-methylpyrido[1,2-a]pyrimidin-4-one

2-benzyl-6-methylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 11470702) has the molecular formula C16H14N2O and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-benzyl-6-methylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-benzyl-6-methylpyrido[1,2-a]pyrimidin-4-one
PubChem CID11470702
Molecular FormulaC16H14N2O
Molecular Weight250.30 g/mol
Exact Mass250.11
IUPAC Name2-benzyl-6-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1cccc2nc(Cc3ccccc3)cc(=O)n12
InChIInChI=1S/C16H14N2O/c1-12-6-5-9-15-17-14(11-16(19)18(12)15)10-13-7-3-2-4-8-13/h2-9,11H,10H2,1H3
InChIKeyZRPMTFKVIJTKEQ-UHFFFAOYSA-N
XLogP2.59
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-benzyl-6-methylpyrido[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 2-benzyl-6-methylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-benzyl-6-methylpyrido[1,2-a]pyrimidin-4-one (CID 11470702) is 2-benzyl-6-methylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-benzyl-6-methylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-benzyl-6-methylpyrido[1,2-a]pyrimidin-4-one is Cc1cccc2nc(Cc3ccccc3)cc(=O)n12.
What is the InChIKey of 2-benzyl-6-methylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is ZRPMTFKVIJTKEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O/c1-12-6-5-9-15-17-14(11-16(19)18(12)15)10-13-7-3-2-4-8-13/h2-9,11H,10H2,1H3.
What are the key properties of 2-benzyl-6-methylpyrido[1,2-a]pyrimidin-4-one?
2-benzyl-6-methylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 250.30 g/mol, XLogP of 2.59, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-6-methylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 11470702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).