3-benzylpyrido[1,2-a]pyrimidin-4-one

C15H12N2O — CID 142684931

IUPAC3-benzylpyrido[1,2-a]pyrimidin-4-one
SMILESO=c1c(Cc2ccccc2)cnc2ccccn12
InChIInChI=1S/C15H12N2O/c18-15-13(10-12-6-2-1-3-7-12)11-16-14-8-4-5-9-17(14)15/h1-9,11H,10H2
InChIKeyRIUKWKYAXONIAA-UHFFFAOYSA-N
MW236.27 g/mol
LogP2.29
Rot. Bonds2

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

3-benzylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 142684931) has the molecular formula C15H12N2O and a molecular weight of 236.27 g/mol. Its IUPAC name is 3-benzylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3-benzylpyrido[1,2-a]pyrimidin-4-one
PubChem CID142684931
Molecular FormulaC15H12N2O
Molecular Weight236.27 g/mol
Exact Mass236.09
IUPAC Name3-benzylpyrido[1,2-a]pyrimidin-4-one
SMILESO=c1c(Cc2ccccc2)cnc2ccccn12
InChIInChI=1S/C15H12N2O/c18-15-13(10-12-6-2-1-3-7-12)11-16-14-8-4-5-9-17(14)15/h1-9,11H,10H2
InChIKeyRIUKWKYAXONIAA-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

3-benzyl-8-iodopyrido[1,2-a]pyrimidin-4-one
CID 163456239
3-[6-(methyldisulfanyl)hexyl]pyrido[1,2-a]pyrimidin-4-one
CID 143696586
3-[(2-hydroxyethylamino)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 175899579
4-oxopyrido[1,2-a]pyrimidine-3-carboxylic acid;hydrochloride
CID 56684110
N-benzyl-N-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 24627026
3-benzyl-7-chloro-9-hydroxypyrido[1,2-a]pyrimidin-4-one
CID 121384984
2-imidazo[1,2-a]pyridin-3-ylacetic acid;dihydrochloride
CID 67654872
3-(4-benzylpiperazine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one
CID 16620986
4-oxo-N-(4-phenylbutyl)pyrido[1,2-a]pyrimidine-3-carboxamide
CID 47019141
4-oxo-4-[(4-oxopyrido[1,2-a]pyrimidin-3-yl)amino]butanoic acid
CID 44782792
3-imidazo[1,2-a]pyridin-3-yl-6-[(4-methoxyphenyl)methyl]benzo[h]quinazolin-4-one
CID 46209310
3-(2H-tetrazol-5-yl)pyrido[1,2-a]pyrimidin-4-one
CID 11499481

Frequently Asked Questions

What is the IUPAC name of 3-benzylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 3-benzylpyrido[1,2-a]pyrimidin-4-one (CID 142684931) is 3-benzylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3-benzylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3-benzylpyrido[1,2-a]pyrimidin-4-one is O=c1c(Cc2ccccc2)cnc2ccccn12.
What is the InChIKey of 3-benzylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is RIUKWKYAXONIAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O/c18-15-13(10-12-6-2-1-3-7-12)11-16-14-8-4-5-9-17(14)15/h1-9,11H,10H2.
What are the key properties of 3-benzylpyrido[1,2-a]pyrimidin-4-one?
3-benzylpyrido[1,2-a]pyrimidin-4-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-4-one is sourced from PubChem (CID 142684931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).