2-[[benzyl(methyl)amino]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one

C18H19N3O — CID 8541214

IUPAC2-[[benzyl(methyl)amino]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1cccc2nc(CN(C)Cc3ccccc3)cc(=O)n12
InChIInChI=1S/C18H19N3O/c1-14-7-6-10-17-19-16(11-18(22)21(14)17)13-20(2)12-15-8-4-3-5-9-15/h3-11H,12-13H2,1-2H3
InChIKeyOJYFJQWMYQLZIR-UHFFFAOYSA-N
MW293.37 g/mol
LogP2.63
Rot. Bonds4

About 2-[[benzyl(methyl)amino]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one

2-[[benzyl(methyl)amino]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 8541214) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-[[benzyl(methyl)amino]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[[benzyl(methyl)amino]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one
PubChem CID8541214
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC Name2-[[benzyl(methyl)amino]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1cccc2nc(CN(C)Cc3ccccc3)cc(=O)n12
InChIInChI=1S/C18H19N3O/c1-14-7-6-10-17-19-16(11-18(22)21(14)17)13-20(2)12-15-8-4-3-5-9-15/h3-11H,12-13H2,1-2H3
InChIKeyOJYFJQWMYQLZIR-UHFFFAOYSA-N
XLogP2.63
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[[benzyl(methyl)amino]methyl]-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(methyl)amino]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[[benzyl(methyl)amino]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one (CID 8541214) is 2-[[benzyl(methyl)amino]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[[benzyl(methyl)amino]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[[benzyl(methyl)amino]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one is Cc1cccc2nc(CN(C)Cc3ccccc3)cc(=O)n12.
What is the InChIKey of 2-[[benzyl(methyl)amino]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is OJYFJQWMYQLZIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c1-14-7-6-10-17-19-16(11-18(22)21(14)17)13-20(2)12-15-8-4-3-5-9-15/h3-11H,12-13H2,1-2H3.
What are the key properties of 2-[[benzyl(methyl)amino]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one?
2-[[benzyl(methyl)amino]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 293.37 g/mol, XLogP of 2.63, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[benzyl(methyl)amino]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 8541214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).