2-[3-(4-chlorophenyl)piperazin-1-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one

C20H20ClN5O — CID 11315047

IUPAC2-[3-(4-chlorophenyl)piperazin-1-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one
SMILESCn1c(N2CCNC(c3ccc(Cl)cc3)C2)nc(-c2ccncc2)cc1=O
InChIInChI=1S/C20H20ClN5O/c1-25-19(27)12-17(15-6-8-22-9-7-15)24-20(25)26-11-10-23-18(13-26)14-2-4-16(21)5-3-14/h2-9,12,18,23H,10-11,13H2,1H3
InChIKeyNBJNGXLGSCSWMZ-UHFFFAOYSA-N
MW381.87 g/mol
LogP2.65
Rot. Bonds3

About 2-[3-(4-chlorophenyl)piperazin-1-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one

2-[3-(4-chlorophenyl)piperazin-1-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one (PubChem CID 11315047) has the molecular formula C20H20ClN5O and a molecular weight of 381.87 g/mol. Its IUPAC name is 2-[3-(4-chlorophenyl)piperazin-1-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one.

Molecular Properties

Compound Name2-[3-(4-chlorophenyl)piperazin-1-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one
PubChem CID11315047
Molecular FormulaC20H20ClN5O
Molecular Weight381.87 g/mol
Exact Mass381.14
IUPAC Name2-[3-(4-chlorophenyl)piperazin-1-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one
SMILESCn1c(N2CCNC(c3ccc(Cl)cc3)C2)nc(-c2ccncc2)cc1=O
InChIInChI=1S/C20H20ClN5O/c1-25-19(27)12-17(15-6-8-22-9-7-15)24-20(25)26-11-10-23-18(13-26)14-2-4-16(21)5-3-14/h2-9,12,18,23H,10-11,13H2,1H3
InChIKeyNBJNGXLGSCSWMZ-UHFFFAOYSA-N
XLogP2.65
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.87
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethyl]pyridine-4-carboxamide;hydrochloride
CID 127042281
4-chloro-N-[6-(4-methylpiperazin-1-yl)pyridin-3-yl]benzamide
CID 2768252
3-Methyl-2-(2-phenylethylamino)-6-pyridin-4-ylpyrimidin-4-one
CID 9882994
2-[[2-(3-Chlorophenyl)-2-oxoethyl]amino]-3-methyl-6-pyridin-4-ylpyrimidin-4-one
CID 10309005
2-[3-(3-Chlorophenyl)piperazin-1-yl]-3-methyl-6-pyrimidin-4-ylpyrimidin-4-one
CID 11164978
Benzeneacetamide,4-chloro-N-[1-[[(cyanoamino)[(2-methyl-3-pyridinyl)imino]methyl]amino]-2,2-dimethylpropyl]-
CID 11223687
2-[3-(4-Chlorophenyl)piperazin-1-yl]-3-methyl-6-pyrimidin-4-ylpyrimidin-4-one
CID 11269073
2-[3-(2-Chlorophenyl)piperazin-1-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one
CID 11315049
2-[3-(2-Chlorophenyl)piperazin-1-yl]-3-methyl-6-pyrimidin-4-ylpyrimidin-4-one
CID 11349589
2-[3-(3-Chlorophenyl)piperazin-1-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one
CID 11485846
2-[3-(4-Fluorophenyl)piperazin-1-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one
CID 11748865
4-(3-Chloro-pyridin-2-yl)-piperazine-1-carboxylic acid (4-ethyl-phenyl)-amide
CID 21037634

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-chlorophenyl)piperazin-1-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one?
The IUPAC name of 2-[3-(4-chlorophenyl)piperazin-1-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one (CID 11315047) is 2-[3-(4-chlorophenyl)piperazin-1-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one.
What is the SMILES notation for 2-[3-(4-chlorophenyl)piperazin-1-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one?
The canonical SMILES for 2-[3-(4-chlorophenyl)piperazin-1-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one is Cn1c(N2CCNC(c3ccc(Cl)cc3)C2)nc(-c2ccncc2)cc1=O.
What is the InChIKey of 2-[3-(4-chlorophenyl)piperazin-1-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one?
The InChIKey is NBJNGXLGSCSWMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN5O/c1-25-19(27)12-17(15-6-8-22-9-7-15)24-20(25)26-11-10-23-18(13-26)14-2-4-16(21)5-3-14/h2-9,12,18,23H,10-11,13H2,1H3.
What are the key properties of 2-[3-(4-chlorophenyl)piperazin-1-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one?
2-[3-(4-chlorophenyl)piperazin-1-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one has a molecular weight of 381.87 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-chlorophenyl)piperazin-1-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one is sourced from PubChem (CID 11315047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).