2-[4-(4-chlorophenyl)piperazin-1-yl]-4,5-dimethyl-1H-pyrimidin-6-one

C16H19ClN4O — CID 135491366

IUPAC2-[4-(4-chlorophenyl)piperazin-1-yl]-4,5-dimethyl-1H-pyrimidin-6-one
SMILESCc1nc(N2CCN(c3ccc(Cl)cc3)CC2)[nH]c(=O)c1C
InChIInChI=1S/C16H19ClN4O/c1-11-12(2)18-16(19-15(11)22)21-9-7-20(8-10-21)14-5-3-13(17)4-6-14/h3-6H,7-10H2,1-2H3,(H,18,19,22)
InChIKeyYKUXDPDPPRYGKW-UHFFFAOYSA-N
MW318.81 g/mol
LogP2.37
Rot. Bonds2

About 2-[4-(4-chlorophenyl)piperazin-1-yl]-4,5-dimethyl-1H-pyrimidin-6-one

2-[4-(4-chlorophenyl)piperazin-1-yl]-4,5-dimethyl-1H-pyrimidin-6-one (PubChem CID 135491366) has the molecular formula C16H19ClN4O and a molecular weight of 318.81 g/mol. Its IUPAC name is 2-[4-(4-chlorophenyl)piperazin-1-yl]-4,5-dimethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[4-(4-chlorophenyl)piperazin-1-yl]-4,5-dimethyl-1H-pyrimidin-6-one
PubChem CID135491366
Molecular FormulaC16H19ClN4O
Molecular Weight318.81 g/mol
Exact Mass318.12
IUPAC Name2-[4-(4-chlorophenyl)piperazin-1-yl]-4,5-dimethyl-1H-pyrimidin-6-one
SMILESCc1nc(N2CCN(c3ccc(Cl)cc3)CC2)[nH]c(=O)c1C
InChIInChI=1S/C16H19ClN4O/c1-11-12(2)18-16(19-15(11)22)21-9-7-20(8-10-21)14-5-3-13(17)4-6-14/h3-6H,7-10H2,1-2H3,(H,18,19,22)
InChIKeyYKUXDPDPPRYGKW-UHFFFAOYSA-N
XLogP2.37
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.81
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chlorophenyl)piperazin-1-yl]-4,5-dimethyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[4-(4-chlorophenyl)piperazin-1-yl]-4,5-dimethyl-1H-pyrimidin-6-one (CID 135491366) is 2-[4-(4-chlorophenyl)piperazin-1-yl]-4,5-dimethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[4-(4-chlorophenyl)piperazin-1-yl]-4,5-dimethyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[4-(4-chlorophenyl)piperazin-1-yl]-4,5-dimethyl-1H-pyrimidin-6-one is Cc1nc(N2CCN(c3ccc(Cl)cc3)CC2)[nH]c(=O)c1C.
What is the InChIKey of 2-[4-(4-chlorophenyl)piperazin-1-yl]-4,5-dimethyl-1H-pyrimidin-6-one?
The InChIKey is YKUXDPDPPRYGKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4O/c1-11-12(2)18-16(19-15(11)22)21-9-7-20(8-10-21)14-5-3-13(17)4-6-14/h3-6H,7-10H2,1-2H3,(H,18,19,22).
What are the key properties of 2-[4-(4-chlorophenyl)piperazin-1-yl]-4,5-dimethyl-1H-pyrimidin-6-one?
2-[4-(4-chlorophenyl)piperazin-1-yl]-4,5-dimethyl-1H-pyrimidin-6-one has a molecular weight of 318.81 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chlorophenyl)piperazin-1-yl]-4,5-dimethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135491366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).