4-(4-chlorophenyl)-2-[4-(4-chlorophenyl)piperazin-1-yl]-1H-pyrimidin-6-one

C20H18Cl2N4O — CID 135644855

IUPAC4-(4-chlorophenyl)-2-[4-(4-chlorophenyl)piperazin-1-yl]-1H-pyrimidin-6-one
SMILESO=c1cc(-c2ccc(Cl)cc2)nc(N2CCN(c3ccc(Cl)cc3)CC2)[nH]1
InChIInChI=1S/C20H18Cl2N4O/c21-15-3-1-14(2-4-15)18-13-19(27)24-20(23-18)26-11-9-25(10-12-26)17-7-5-16(22)6-8-17/h1-8,13H,9-12H2,(H,23,24,27)
InChIKeyKYBCHZAIKDXAAH-UHFFFAOYSA-N
MW401.30 g/mol
LogP4.07
Rot. Bonds3

About 4-(4-chlorophenyl)-2-[4-(4-chlorophenyl)piperazin-1-yl]-1H-pyrimidin-6-one

4-(4-chlorophenyl)-2-[4-(4-chlorophenyl)piperazin-1-yl]-1H-pyrimidin-6-one (PubChem CID 135644855) has the molecular formula C20H18Cl2N4O and a molecular weight of 401.30 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-2-[4-(4-chlorophenyl)piperazin-1-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(4-chlorophenyl)-2-[4-(4-chlorophenyl)piperazin-1-yl]-1H-pyrimidin-6-one
PubChem CID135644855
Molecular FormulaC20H18Cl2N4O
Molecular Weight401.30 g/mol
Exact Mass400.09
IUPAC Name4-(4-chlorophenyl)-2-[4-(4-chlorophenyl)piperazin-1-yl]-1H-pyrimidin-6-one
SMILESO=c1cc(-c2ccc(Cl)cc2)nc(N2CCN(c3ccc(Cl)cc3)CC2)[nH]1
InChIInChI=1S/C20H18Cl2N4O/c21-15-3-1-14(2-4-15)18-13-19(27)24-20(23-18)26-11-9-25(10-12-26)17-7-5-16(22)6-8-17/h1-8,13H,9-12H2,(H,23,24,27)
InChIKeyKYBCHZAIKDXAAH-UHFFFAOYSA-N
XLogP4.07
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.30
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-2-[4-(4-chlorophenyl)piperazin-1-yl]-1H-pyrimidin-6-one?
The IUPAC name of 4-(4-chlorophenyl)-2-[4-(4-chlorophenyl)piperazin-1-yl]-1H-pyrimidin-6-one (CID 135644855) is 4-(4-chlorophenyl)-2-[4-(4-chlorophenyl)piperazin-1-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(4-chlorophenyl)-2-[4-(4-chlorophenyl)piperazin-1-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-(4-chlorophenyl)-2-[4-(4-chlorophenyl)piperazin-1-yl]-1H-pyrimidin-6-one is O=c1cc(-c2ccc(Cl)cc2)nc(N2CCN(c3ccc(Cl)cc3)CC2)[nH]1.
What is the InChIKey of 4-(4-chlorophenyl)-2-[4-(4-chlorophenyl)piperazin-1-yl]-1H-pyrimidin-6-one?
The InChIKey is KYBCHZAIKDXAAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18Cl2N4O/c21-15-3-1-14(2-4-15)18-13-19(27)24-20(23-18)26-11-9-25(10-12-26)17-7-5-16(22)6-8-17/h1-8,13H,9-12H2,(H,23,24,27).
What are the key properties of 4-(4-chlorophenyl)-2-[4-(4-chlorophenyl)piperazin-1-yl]-1H-pyrimidin-6-one?
4-(4-chlorophenyl)-2-[4-(4-chlorophenyl)piperazin-1-yl]-1H-pyrimidin-6-one has a molecular weight of 401.30 g/mol, XLogP of 4.07, 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-(4-chlorophenyl)piperazin-1-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 135644855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).