3-benzoyl-2,8-dimethylpyrido[1,2-a]pyrimidin-4-one

C17H14N2O2 — CID 134119925

IUPAC3-benzoyl-2,8-dimethylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccn2c(=O)c(C(=O)c3ccccc3)c(C)nc2c1
InChIInChI=1S/C17H14N2O2/c1-11-8-9-19-14(10-11)18-12(2)15(17(19)21)16(20)13-6-4-3-5-7-13/h3-10H,1-2H3
InChIKeyMGTDTORHLQPXFV-UHFFFAOYSA-N
MW278.31 g/mol
LogP2.54
Rot. Bonds2

About 3-benzoyl-2,8-dimethylpyrido[1,2-a]pyrimidin-4-one

3-benzoyl-2,8-dimethylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 134119925) has the molecular formula C17H14N2O2 and a molecular weight of 278.31 g/mol. Its IUPAC name is 3-benzoyl-2,8-dimethylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3-benzoyl-2,8-dimethylpyrido[1,2-a]pyrimidin-4-one
PubChem CID134119925
Molecular FormulaC17H14N2O2
Molecular Weight278.31 g/mol
Exact Mass278.11
IUPAC Name3-benzoyl-2,8-dimethylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccn2c(=O)c(C(=O)c3ccccc3)c(C)nc2c1
InChIInChI=1S/C17H14N2O2/c1-11-8-9-19-14(10-11)18-12(2)15(17(19)21)16(20)13-6-4-3-5-7-13/h3-10H,1-2H3
InChIKeyMGTDTORHLQPXFV-UHFFFAOYSA-N
XLogP2.54
TPSA51.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,8-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-2,2-diphenylacetamide
CID 16799381
(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl) benzoate
CID 134087021
2-hydroxy-8-methyl-4-oxo-N-(4-phenylbutan-2-yl)pyrido[1,2-a]pyrimidine-3-carboxamide
CID 135681014
7-methyl-3-phenylimidazo[1,2-a]pyridine-2-carboxylic acid
CID 82063200
N-(2,8-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)furan-2-carboxamide
CID 18566186
8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxylic acid
CID 2800874
2-[(2,7-dimethylimidazo[1,2-a]pyridine-3-carbonyl)amino]-2-methylpropanoic acid
CID 39186456
N'-acetyl-2,7-dimethylimidazo[1,2-a]pyridine-3-carbohydrazide
CID 2814534
(5-benzoyl-2,6-dimethyl-3-pyridinyl)-phenylmethanone
CID 827958
3-amino-3-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)propanoic acid
CID 83841113
(1-benzoyl-7-methylindolizin-3-yl)-phenylmethanone
CID 10664811
N-[7-methyl-2-(2-methylphenyl)imidazo[1,2-a]pyridin-3-yl]benzamide
CID 42881744

Frequently Asked Questions

What is the IUPAC name of 3-benzoyl-2,8-dimethylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 3-benzoyl-2,8-dimethylpyrido[1,2-a]pyrimidin-4-one (CID 134119925) is 3-benzoyl-2,8-dimethylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3-benzoyl-2,8-dimethylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3-benzoyl-2,8-dimethylpyrido[1,2-a]pyrimidin-4-one is Cc1ccn2c(=O)c(C(=O)c3ccccc3)c(C)nc2c1.
What is the InChIKey of 3-benzoyl-2,8-dimethylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is MGTDTORHLQPXFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O2/c1-11-8-9-19-14(10-11)18-12(2)15(17(19)21)16(20)13-6-4-3-5-7-13/h3-10H,1-2H3.
What are the key properties of 3-benzoyl-2,8-dimethylpyrido[1,2-a]pyrimidin-4-one?
3-benzoyl-2,8-dimethylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 278.31 g/mol, XLogP of 2.54, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzoyl-2,8-dimethylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 134119925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).