2-(4-methoxyphenyl)-3-phenylpyrido[1,2-a]pyrimidin-4-one

C21H16N2O2 — CID 71741335

IUPAC2-(4-methoxyphenyl)-3-phenylpyrido[1,2-a]pyrimidin-4-one
SMILESCOc1ccc(-c2nc3ccccn3c(=O)c2-c2ccccc2)cc1
InChIInChI=1S/C21H16N2O2/c1-25-17-12-10-16(11-13-17)20-19(15-7-3-2-4-8-15)21(24)23-14-6-5-9-18(23)22-20/h2-14H,1H3
InChIKeyRGWPDHLMVIDTLL-UHFFFAOYSA-N
MW328.37 g/mol
LogP4.04
Rot. Bonds3

About 2-(4-methoxyphenyl)-3-phenylpyrido[1,2-a]pyrimidin-4-one

2-(4-methoxyphenyl)-3-phenylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 71741335) has the molecular formula C21H16N2O2 and a molecular weight of 328.37 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-3-phenylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-3-phenylpyrido[1,2-a]pyrimidin-4-one
PubChem CID71741335
Molecular FormulaC21H16N2O2
Molecular Weight328.37 g/mol
Exact Mass328.12
IUPAC Name2-(4-methoxyphenyl)-3-phenylpyrido[1,2-a]pyrimidin-4-one
SMILESCOc1ccc(-c2nc3ccccn3c(=O)c2-c2ccccc2)cc1
InChIInChI=1S/C21H16N2O2/c1-25-17-12-10-16(11-13-17)20-19(15-7-3-2-4-8-15)21(24)23-14-6-5-9-18(23)22-20/h2-14H,1H3
InChIKeyRGWPDHLMVIDTLL-UHFFFAOYSA-N
XLogP4.04
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(E)-2-(4-methoxyphenyl)ethenyl]-6-phenyl-1H-pyrimidin-4-one
CID 135437680
2-(4-methoxyphenyl)-4H-pyrido[1,2-a]pyrimidin-4-one
CID 10848404
2-Ethyl-3-[(4-methoxyphenyl)methyl][1]benzopyrano[2,3-d]pyrimidine-4,5-dione
CID 667297
4-methoxy-N-(4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)benzamide
CID 2242340
N-benzyl-2-imino-1-[2-(4-methoxyphenyl)ethyl]-10-methyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide
CID 3290280
2-imino-N-(4-methoxybenzyl)-5-oxo-1-(2-phenylethyl)-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide
CID 3805646
N-[(4-methoxyphenyl)methyl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 4151343
N-benzyl-2-imino-1-[2-(4-methoxyphenyl)ethyl]-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide
CID 4297928
2-(4-methoxyphenyl)-3-(2-methylpropyl)quinazolin-4(3H)-one
CID 929398
2-(3,4-dimethoxyphenyl)-4H-pyrido[1,2-a]pyrimidin-4-one
CID 20152292
2-(3,4-Dimethoxyphenyl)-3-phenyl-4h-pyrido[1,2-a]pyrimidin-4-one
CID 76331965
2-[2-(4-methoxyphenyl)-1-methylvinyl]-6-methyl-5-phenyl-4(3H)-pyrimidinone
CID 135437681

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-3-phenylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-(4-methoxyphenyl)-3-phenylpyrido[1,2-a]pyrimidin-4-one (CID 71741335) is 2-(4-methoxyphenyl)-3-phenylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-(4-methoxyphenyl)-3-phenylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-(4-methoxyphenyl)-3-phenylpyrido[1,2-a]pyrimidin-4-one is COc1ccc(-c2nc3ccccn3c(=O)c2-c2ccccc2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-3-phenylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is RGWPDHLMVIDTLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O2/c1-25-17-12-10-16(11-13-17)20-19(15-7-3-2-4-8-15)21(24)23-14-6-5-9-18(23)22-20/h2-14H,1H3.
What are the key properties of 2-(4-methoxyphenyl)-3-phenylpyrido[1,2-a]pyrimidin-4-one?
2-(4-methoxyphenyl)-3-phenylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 328.37 g/mol, XLogP of 4.04, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-3-phenylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 71741335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).