2-methyl-3-(2-piperazin-1-ylethyl)pyrido[1,2-a]pyrimidin-4-one

C15H20N4O — CID 123531699

IUPAC2-methyl-3-(2-piperazin-1-ylethyl)pyrido[1,2-a]pyrimidin-4-one
SMILESCc1nc2ccccn2c(=O)c1CCN1CCNCC1
InChIInChI=1S/C15H20N4O/c1-12-13(5-9-18-10-6-16-7-11-18)15(20)19-8-3-2-4-14(19)17-12/h2-4,8,16H,5-7,9-11H2,1H3
InChIKeyWXKZLQCTBDFLAA-UHFFFAOYSA-N
MW272.35 g/mol
LogP0.45
Rot. Bonds3

About 2-methyl-3-(2-piperazin-1-ylethyl)pyrido[1,2-a]pyrimidin-4-one

2-methyl-3-(2-piperazin-1-ylethyl)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 123531699) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-methyl-3-(2-piperazin-1-ylethyl)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-methyl-3-(2-piperazin-1-ylethyl)pyrido[1,2-a]pyrimidin-4-one
PubChem CID123531699
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name2-methyl-3-(2-piperazin-1-ylethyl)pyrido[1,2-a]pyrimidin-4-one
SMILESCc1nc2ccccn2c(=O)c1CCN1CCNCC1
InChIInChI=1S/C15H20N4O/c1-12-13(5-9-18-10-6-16-7-11-18)15(20)19-8-3-2-4-14(19)17-12/h2-4,8,16H,5-7,9-11H2,1H3
InChIKeyWXKZLQCTBDFLAA-UHFFFAOYSA-N
XLogP0.45
TPSA49.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4H-Pyrido(1,2-a)pyrimidine-3-acetamide, 6-methyl-4-oxo-N-propyl-
CID 3079294
2-(piperazin-1-ylmethyl)-4H-pyrido[1,2-a]pyrimidin-4-one
CID 43090470
2-(dimethylamino)-7-[(6-oxo-1,6-dihydropyridin-3-yl)carbonyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4(3H)-one
CID 136164839
7-Methyl-2-(1-piperidylmethyl)pyrido[1,2-a]pyrimidin-4-one
CID 390351
2-(1-Fluoroethyl)-3-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one
CID 89740546
3-Ethyl-9-fluoro-2-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one
CID 89740549
3-(1-Fluoroethyl)-2-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one
CID 89740551
3-(2-Fluoroethyl)-2-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one
CID 89740553
3-(1-Fluoropropyl)-2-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one
CID 89741709
7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-[(3E)-4-fluoro-5-prop-1-en-2-yliminopenta-1,3-dien-2-yl]pyrido[1,2-a]pyrimidin-4-one
CID 134558955
2-(5-fluoro-6-oxo-1H-pyridin-3-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one
CID 137374197
1,2,3,4-tetrahydro-11H-dipyrido[1,2-a:4',3'-d]pyrimidin-11-one
CID 13815419

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(2-piperazin-1-ylethyl)pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-methyl-3-(2-piperazin-1-ylethyl)pyrido[1,2-a]pyrimidin-4-one (CID 123531699) is 2-methyl-3-(2-piperazin-1-ylethyl)pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-methyl-3-(2-piperazin-1-ylethyl)pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-methyl-3-(2-piperazin-1-ylethyl)pyrido[1,2-a]pyrimidin-4-one is Cc1nc2ccccn2c(=O)c1CCN1CCNCC1.
What is the InChIKey of 2-methyl-3-(2-piperazin-1-ylethyl)pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is WXKZLQCTBDFLAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-12-13(5-9-18-10-6-16-7-11-18)15(20)19-8-3-2-4-14(19)17-12/h2-4,8,16H,5-7,9-11H2,1H3.
What are the key properties of 2-methyl-3-(2-piperazin-1-ylethyl)pyrido[1,2-a]pyrimidin-4-one?
2-methyl-3-(2-piperazin-1-ylethyl)pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 272.35 g/mol, XLogP of 0.45, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(2-piperazin-1-ylethyl)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 123531699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).