3-benzylpyrido[1,2-a]pyrimidin-2-one

C15H12N2O — CID 90666043

IUPAC3-benzylpyrido[1,2-a]pyrimidin-2-one
SMILESO=c1nc2ccccn2cc1Cc1ccccc1
InChIInChI=1S/C15H12N2O/c18-15-13(10-12-6-2-1-3-7-12)11-17-9-5-4-8-14(17)16-15/h1-9,11H,10H2
InChIKeyVMKVBOBCUQOQMH-UHFFFAOYSA-N
MW236.27 g/mol
LogP2.29
Rot. Bonds2

About 3-benzylpyrido[1,2-a]pyrimidin-2-one

3-benzylpyrido[1,2-a]pyrimidin-2-one (PubChem CID 90666043) has the molecular formula C15H12N2O and a molecular weight of 236.27 g/mol. Its IUPAC name is 3-benzylpyrido[1,2-a]pyrimidin-2-one.

Molecular Properties

Compound Name3-benzylpyrido[1,2-a]pyrimidin-2-one
PubChem CID90666043
Molecular FormulaC15H12N2O
Molecular Weight236.27 g/mol
Exact Mass236.09
IUPAC Name3-benzylpyrido[1,2-a]pyrimidin-2-one
SMILESO=c1nc2ccccn2cc1Cc1ccccc1
InChIInChI=1S/C15H12N2O/c18-15-13(10-12-6-2-1-3-7-12)11-17-9-5-4-8-14(17)16-15/h1-9,11H,10H2
InChIKeyVMKVBOBCUQOQMH-UHFFFAOYSA-N
XLogP2.29
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxy-3-phenyl-4H-pyrido[1,2-a]pyrimidin-4-one
CID 135399285
7-Bromo-3-[(4-bromophenyl)methyl]pyrido[1,2-a]pyrimidin-2-one
CID 53310095
3-benzyl-2-hydroxy-4H-pyrido[1,2-a]pyrimidin-4-one
CID 135454301
4H-Pyrazino(1,2-a)pyrimidin-4-one, 2-hydroxy-3-phenyl-
CID 135574819
3-(4-Methylphenyl)pyrido[1,2-a]pyrimidin-4-one
CID 122203481
7-Bromo-3-[(4-chlorophenyl)methyl]pyrido[1,2-a]pyrimidin-2-one
CID 53310092
7-Chloro-3-[(4-methylphenyl)methyl]pyrido[1,2-a]pyrimidin-2-one
CID 53310096
3-Benzoylpyrido[1,2-a]pyrimidin-4-one
CID 2819120
1-methyl-5-phenyl-4(1H)-pyrimidinone
CID 12284401
3-methyl-5-phenyl-4(3H)-pyrimidinone
CID 56688726
7-Chloro-3-[(4-fluorophenyl)methyl]pyrido[1,2-a]pyrimidin-2-one
CID 53309950
3-[[4-Fluoro-2-(trifluoromethyl)phenyl]methyl]pyrido[1,2-a]pyrimidin-2-one
CID 90666047

Frequently Asked Questions

What is the IUPAC name of 3-benzylpyrido[1,2-a]pyrimidin-2-one?
The IUPAC name of 3-benzylpyrido[1,2-a]pyrimidin-2-one (CID 90666043) is 3-benzylpyrido[1,2-a]pyrimidin-2-one.
What is the SMILES notation for 3-benzylpyrido[1,2-a]pyrimidin-2-one?
The canonical SMILES for 3-benzylpyrido[1,2-a]pyrimidin-2-one is O=c1nc2ccccn2cc1Cc1ccccc1.
What is the InChIKey of 3-benzylpyrido[1,2-a]pyrimidin-2-one?
The InChIKey is VMKVBOBCUQOQMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O/c18-15-13(10-12-6-2-1-3-7-12)11-17-9-5-4-8-14(17)16-15/h1-9,11H,10H2.
What are the key properties of 3-benzylpyrido[1,2-a]pyrimidin-2-one?
3-benzylpyrido[1,2-a]pyrimidin-2-one has a molecular weight of 236.27 g/mol, XLogP of 2.29, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzylpyrido[1,2-a]pyrimidin-2-one is sourced from PubChem (CID 90666043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).