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

C16H19ClN4O2 — CID 135911475

IUPAC2-[4-(4-chlorophenyl)piperazin-1-yl]-4-(methoxymethyl)-1H-pyrimidin-6-one
SMILESCOCc1cc(=O)[nH]c(N2CCN(c3ccc(Cl)cc3)CC2)n1
InChIInChI=1S/C16H19ClN4O2/c1-23-11-13-10-15(22)19-16(18-13)21-8-6-20(7-9-21)14-4-2-12(17)3-5-14/h2-5,10H,6-9,11H2,1H3,(H,18,19,22)
InChIKeyADCNGIWLYORPEH-UHFFFAOYSA-N
MW334.81 g/mol
LogP1.90
Rot. Bonds4

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

2-[4-(4-chlorophenyl)piperazin-1-yl]-4-(methoxymethyl)-1H-pyrimidin-6-one (PubChem CID 135911475) has the molecular formula C16H19ClN4O2 and a molecular weight of 334.81 g/mol. Its IUPAC name is 2-[4-(4-chlorophenyl)piperazin-1-yl]-4-(methoxymethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[4-(4-chlorophenyl)piperazin-1-yl]-4-(methoxymethyl)-1H-pyrimidin-6-one
PubChem CID135911475
Molecular FormulaC16H19ClN4O2
Molecular Weight334.81 g/mol
Exact Mass334.12
IUPAC Name2-[4-(4-chlorophenyl)piperazin-1-yl]-4-(methoxymethyl)-1H-pyrimidin-6-one
SMILESCOCc1cc(=O)[nH]c(N2CCN(c3ccc(Cl)cc3)CC2)n1
InChIInChI=1S/C16H19ClN4O2/c1-23-11-13-10-15(22)19-16(18-13)21-8-6-20(7-9-21)14-4-2-12(17)3-5-14/h2-5,10H,6-9,11H2,1H3,(H,18,19,22)
InChIKeyADCNGIWLYORPEH-UHFFFAOYSA-N
XLogP1.90
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.81
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(methoxymethyl)-2-piperazin-1-yl-1H-pyrimidin-6-one
CID 135629231
4-(4-chlorophenyl)-2-[4-(4-chlorophenyl)piperazin-1-yl]-1H-pyrimidin-6-one
CID 135644855
4-(methoxymethyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1H-pyrimidin-6-one
CID 135911478
2-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]-4-[[4-(4-methylphenyl)piperazin-1-yl]methyl]-1H-pyrimidin-6-one
CID 135933432
2-(4-phenylpiperazin-1-yl)-4-propyl-1H-pyrimidin-6-one
CID 135456330
4-(4-methoxyphenyl)-2-(4-phenylpiperazin-1-yl)-1H-pyrimidin-6-one
CID 135520797
4-chloro-2-[4-(4-fluorophenyl)piperazin-1-yl]-6-(methoxymethyl)pyrimidine
CID 94674091
4-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methyl]-2-[4-(4-methoxybenzoyl)-1,4-diazepan-1-yl]-1H-pyrimidin-6-one
CID 135933355
2-[4-(4-aminophenyl)piperazin-1-yl]-4-(propylsulfanylmethyl)-1H-pyrimidin-6-one
CID 136925297
2-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-4-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-1H-pyrimidin-6-one
CID 135933282
5-ethyl-4-(methoxymethyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]-1H-pyrimidin-6-one
CID 135911493
2-[2-(4-chlorophenoxy)ethylsulfanyl]-4-(methoxymethyl)-1H-pyrimidin-6-one
CID 136684367

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chlorophenyl)piperazin-1-yl]-4-(methoxymethyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-[4-(4-chlorophenyl)piperazin-1-yl]-4-(methoxymethyl)-1H-pyrimidin-6-one (CID 135911475) is 2-[4-(4-chlorophenyl)piperazin-1-yl]-4-(methoxymethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[4-(4-chlorophenyl)piperazin-1-yl]-4-(methoxymethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-[4-(4-chlorophenyl)piperazin-1-yl]-4-(methoxymethyl)-1H-pyrimidin-6-one is COCc1cc(=O)[nH]c(N2CCN(c3ccc(Cl)cc3)CC2)n1.
What is the InChIKey of 2-[4-(4-chlorophenyl)piperazin-1-yl]-4-(methoxymethyl)-1H-pyrimidin-6-one?
The InChIKey is ADCNGIWLYORPEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4O2/c1-23-11-13-10-15(22)19-16(18-13)21-8-6-20(7-9-21)14-4-2-12(17)3-5-14/h2-5,10H,6-9,11H2,1H3,(H,18,19,22).
What are the key properties of 2-[4-(4-chlorophenyl)piperazin-1-yl]-4-(methoxymethyl)-1H-pyrimidin-6-one?
2-[4-(4-chlorophenyl)piperazin-1-yl]-4-(methoxymethyl)-1H-pyrimidin-6-one has a molecular weight of 334.81 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chlorophenyl)piperazin-1-yl]-4-(methoxymethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 135911475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).