3-(4-methylphenyl)pyrido[1,2-a]pyrimidin-4-one

C15H12N2O — CID 122203481

IUPAC3-(4-methylphenyl)pyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccc(-c2cnc3ccccn3c2=O)cc1
InChIInChI=1S/C15H12N2O/c1-11-5-7-12(8-6-11)13-10-16-14-4-2-3-9-17(14)15(13)18/h2-10H,1H3
InChIKeyVAFDGYHUYFZTCR-UHFFFAOYSA-N
MW236.27 g/mol
LogP2.67
Rot. Bonds1

About 3-(4-methylphenyl)pyrido[1,2-a]pyrimidin-4-one

3-(4-methylphenyl)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 122203481) has the molecular formula C15H12N2O and a molecular weight of 236.27 g/mol. Its IUPAC name is 3-(4-methylphenyl)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3-(4-methylphenyl)pyrido[1,2-a]pyrimidin-4-one
PubChem CID122203481
Molecular FormulaC15H12N2O
Molecular Weight236.27 g/mol
Exact Mass236.09
IUPAC Name3-(4-methylphenyl)pyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccc(-c2cnc3ccccn3c2=O)cc1
InChIInChI=1S/C15H12N2O/c1-11-5-7-12(8-6-11)13-10-16-14-4-2-3-9-17(14)15(13)18/h2-10H,1H3
InChIKeyVAFDGYHUYFZTCR-UHFFFAOYSA-N
XLogP2.67
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 52.67
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
Mls002693570
CID 248888
2,3,6-trimethyl-5-phenylpyrimidin-4(3H)-one
CID 776568
4H-Pyrido[1,2-a]pyrimidin-4-one, 2,3-diphenyl-
CID 12235379
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-Naphthalen-1-ylpyrido[1,2-a]pyrimidin-4-one
CID 122203480
4-(4-Oxopyrido[1,2-a]pyrimidin-2-yl)benzaldehyde
CID 134156203
8-Ethyl-3-methyl-2-phenylpyrido[1,2-a]pyrimidin-4-one
CID 56647938
7-Chloro-3-[(4-methylphenyl)methyl]pyrido[1,2-a]pyrimidin-2-one
CID 53310096
3,4-Dihydro-3-phenyl-2H-pyrido(1,2-A)pyrimidine-2,4-dione
CID 4623805
3-Benzoylpyrido[1,2-a]pyrimidin-4-one
CID 2819120

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 3-(4-methylphenyl)pyrido[1,2-a]pyrimidin-4-one (CID 122203481) is 3-(4-methylphenyl)pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3-(4-methylphenyl)pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3-(4-methylphenyl)pyrido[1,2-a]pyrimidin-4-one is Cc1ccc(-c2cnc3ccccn3c2=O)cc1.
What is the InChIKey of 3-(4-methylphenyl)pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is VAFDGYHUYFZTCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O/c1-11-5-7-12(8-6-11)13-10-16-14-4-2-3-9-17(14)15(13)18/h2-10H,1H3.
What are the key properties of 3-(4-methylphenyl)pyrido[1,2-a]pyrimidin-4-one?
3-(4-methylphenyl)pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 236.27 g/mol, XLogP of 2.67, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 122203481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).