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

C21H22N4O — CID 135644799

IUPAC4-(4-methylphenyl)-2-(4-phenylpiperazin-1-yl)-1H-pyrimidin-6-one
SMILESCc1ccc(-c2cc(=O)[nH]c(N3CCN(c4ccccc4)CC3)n2)cc1
InChIInChI=1S/C21H22N4O/c1-16-7-9-17(10-8-16)19-15-20(26)23-21(22-19)25-13-11-24(12-14-25)18-5-3-2-4-6-18/h2-10,15H,11-14H2,1H3,(H,22,23,26)
InChIKeyFORBXQYFBXRSBF-UHFFFAOYSA-N
MW346.43 g/mol
LogP3.07
Rot. Bonds3

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

4-(4-methylphenyl)-2-(4-phenylpiperazin-1-yl)-1H-pyrimidin-6-one (PubChem CID 135644799) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is 4-(4-methylphenyl)-2-(4-phenylpiperazin-1-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(4-methylphenyl)-2-(4-phenylpiperazin-1-yl)-1H-pyrimidin-6-one
PubChem CID135644799
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC Name4-(4-methylphenyl)-2-(4-phenylpiperazin-1-yl)-1H-pyrimidin-6-one
SMILESCc1ccc(-c2cc(=O)[nH]c(N3CCN(c4ccccc4)CC3)n2)cc1
InChIInChI=1S/C21H22N4O/c1-16-7-9-17(10-8-16)19-15-20(26)23-21(22-19)25-13-11-24(12-14-25)18-5-3-2-4-6-18/h2-10,15H,11-14H2,1H3,(H,22,23,26)
InChIKeyFORBXQYFBXRSBF-UHFFFAOYSA-N
XLogP3.07
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-methoxyphenyl)-2-(4-phenylpiperazin-1-yl)-1H-pyrimidin-6-one
CID 135520797
4-(4-fluorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]-1H-pyrimidin-6-one
CID 135629079
4-(4-chlorophenyl)-2-[4-(4-chlorophenyl)piperazin-1-yl]-1H-pyrimidin-6-one
CID 135644855
2-(4-acetylpiperazin-1-yl)-4-phenyl-1H-pyrimidin-6-one
CID 136780047
2-(4-phenylpiperazin-1-yl)-4-propyl-1H-pyrimidin-6-one
CID 135456330
4-(3-methylphenyl)-2-pyrrolidin-1-yl-1H-pyrimidin-6-one
CID 136741001
4-(4-methoxyphenyl)-2-piperazin-1-yl-1H-pyrimidin-6-one
CID 136923018
4-(3-methoxyphenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-1H-pyrimidin-6-one
CID 135762492
1-methyl-6-(4-phenylpiperazin-1-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 141390559
2-[(4R)-3,4-dimethyl-5-oxo-4H-pyrazol-1-yl]-4-phenyl-1H-pyrimidin-6-one
CID 135745003
4-phenyl-2-(4-phenylpiperazin-1-yl)-5-propyl-1H-pyrimidin-6-one
CID 135644964
2-(azepan-1-yl)-4-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one
CID 136771798

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenyl)-2-(4-phenylpiperazin-1-yl)-1H-pyrimidin-6-one?
The IUPAC name of 4-(4-methylphenyl)-2-(4-phenylpiperazin-1-yl)-1H-pyrimidin-6-one (CID 135644799) is 4-(4-methylphenyl)-2-(4-phenylpiperazin-1-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(4-methylphenyl)-2-(4-phenylpiperazin-1-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(4-methylphenyl)-2-(4-phenylpiperazin-1-yl)-1H-pyrimidin-6-one is Cc1ccc(-c2cc(=O)[nH]c(N3CCN(c4ccccc4)CC3)n2)cc1.
What is the InChIKey of 4-(4-methylphenyl)-2-(4-phenylpiperazin-1-yl)-1H-pyrimidin-6-one?
The InChIKey is FORBXQYFBXRSBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O/c1-16-7-9-17(10-8-16)19-15-20(26)23-21(22-19)25-13-11-24(12-14-25)18-5-3-2-4-6-18/h2-10,15H,11-14H2,1H3,(H,22,23,26).
What are the key properties of 4-(4-methylphenyl)-2-(4-phenylpiperazin-1-yl)-1H-pyrimidin-6-one?
4-(4-methylphenyl)-2-(4-phenylpiperazin-1-yl)-1H-pyrimidin-6-one has a molecular weight of 346.43 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)-2-(4-phenylpiperazin-1-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 135644799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).