4-(4-chlorophenyl)-2-(4-phenylpiperazin-1-yl)-1H-pyrimidin-6-one

C20H19ClN4O — CID 135547390

IUPAC4-(4-chlorophenyl)-2-(4-phenylpiperazin-1-yl)-1H-pyrimidin-6-one
SMILESO=c1cc(-c2ccc(Cl)cc2)nc(N2CCN(c3ccccc3)CC2)[nH]1
InChIInChI=1S/C20H19ClN4O/c21-16-8-6-15(7-9-16)18-14-19(26)23-20(22-18)25-12-10-24(11-13-25)17-4-2-1-3-5-17/h1-9,14H,10-13H2,(H,22,23,26)
InChIKeyYUVWXKXQLFEXJM-UHFFFAOYSA-N
MW366.85 g/mol
LogP3.42
Rot. Bonds3

About 4-(4-chlorophenyl)-2-(4-phenylpiperazin-1-yl)-1H-pyrimidin-6-one

4-(4-chlorophenyl)-2-(4-phenylpiperazin-1-yl)-1H-pyrimidin-6-one (PubChem CID 135547390) has the molecular formula C20H19ClN4O and a molecular weight of 366.85 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-2-(4-phenylpiperazin-1-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(4-chlorophenyl)-2-(4-phenylpiperazin-1-yl)-1H-pyrimidin-6-one
PubChem CID135547390
Molecular FormulaC20H19ClN4O
Molecular Weight366.85 g/mol
Exact Mass366.12
IUPAC Name4-(4-chlorophenyl)-2-(4-phenylpiperazin-1-yl)-1H-pyrimidin-6-one
SMILESO=c1cc(-c2ccc(Cl)cc2)nc(N2CCN(c3ccccc3)CC2)[nH]1
InChIInChI=1S/C20H19ClN4O/c21-16-8-6-15(7-9-16)18-14-19(26)23-20(22-18)25-12-10-24(11-13-25)17-4-2-1-3-5-17/h1-9,14H,10-13H2,(H,22,23,26)
InChIKeyYUVWXKXQLFEXJM-UHFFFAOYSA-N
XLogP3.42
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.85
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-(4-Chlorophenyl)-1-piperazinyl)-5,6-dimethyl-4(3H)-pyrimidinone
CID 135491366
2-[4-(4-chlorophenyl)piperazin-1-yl]-5-ethyl-6-methylpyrimidin-4(3H)-one
CID 135491328
4-[(4-chlorophenyl)methyl]-N-phenylpiperazine-1-carboxamide
CID 6465286
N-(4-chlorophenyl)-4-[N''-cyano-N-(2-methylphenyl)carbamimidoyl]-3-(propan-2-yl)piperazine-1-carboxamide
CID 44567880
N-(4-chlorophenyl)-4-[N-cyano-N'-(2-methylphenyl)carbamimidoyl]-2-propan-2-ylpiperazine-1-carboxamide
CID 44567881
3-(4-chlorophenyl)-N-[4-(1-piperidinyl)phenyl]acrylamide
CID 878105
3-(5-chloro-2-methylphenyl)-6-(4-ethylpiperazin-1-yl)-1H-pyrimidine-2,4-dione
CID 3235600
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-[4-(3-chlorophenyl)piperazin-1-yl]-N-ethylacetamide
CID 3925054
6-[4-(2-chlorophenyl)piperazin-1-yl]-3-[(4-fluorophenyl)methyl]-1H-pyrimidine-2,4-dione
CID 7080710
3-{[2-(4-Chlorophenyl)ethyl]amino}-1-phenyl-1,2-dihydropyrazin-2-one
CID 16025725
3-[5-[4-(4-Chlorophenyl)piperazin-1-yl]pentyl]-6-phenylpyrimidin-4-one
CID 134130594
3-[5-[4-(3-Chlorophenyl)piperazin-1-yl]pentyl]-6-phenylpyrimidin-4-one
CID 134131147

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-2-(4-phenylpiperazin-1-yl)-1H-pyrimidin-6-one?
The IUPAC name of 4-(4-chlorophenyl)-2-(4-phenylpiperazin-1-yl)-1H-pyrimidin-6-one (CID 135547390) is 4-(4-chlorophenyl)-2-(4-phenylpiperazin-1-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(4-chlorophenyl)-2-(4-phenylpiperazin-1-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(4-chlorophenyl)-2-(4-phenylpiperazin-1-yl)-1H-pyrimidin-6-one is O=c1cc(-c2ccc(Cl)cc2)nc(N2CCN(c3ccccc3)CC2)[nH]1.
What is the InChIKey of 4-(4-chlorophenyl)-2-(4-phenylpiperazin-1-yl)-1H-pyrimidin-6-one?
The InChIKey is YUVWXKXQLFEXJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O/c21-16-8-6-15(7-9-16)18-14-19(26)23-20(22-18)25-12-10-24(11-13-25)17-4-2-1-3-5-17/h1-9,14H,10-13H2,(H,22,23,26).
What are the key properties of 4-(4-chlorophenyl)-2-(4-phenylpiperazin-1-yl)-1H-pyrimidin-6-one?
4-(4-chlorophenyl)-2-(4-phenylpiperazin-1-yl)-1H-pyrimidin-6-one has a molecular weight of 366.85 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-2-(4-phenylpiperazin-1-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 135547390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).