2-(4-benzhydrylpiperazin-1-yl)-4-methyl-1H-pyrimidin-6-one

C22H24N4O — CID 135485468

IUPAC2-(4-benzhydrylpiperazin-1-yl)-4-methyl-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(N2CCN(C(c3ccccc3)c3ccccc3)CC2)n1
InChIInChI=1S/C22H24N4O/c1-17-16-20(27)24-22(23-17)26-14-12-25(13-15-26)21(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-11,16,21H,12-15H2,1H3,(H,23,24,27)
InChIKeyZMNJUNYZMKJBBG-UHFFFAOYSA-N
MW360.46 g/mol
LogP2.99
Rot. Bonds4

About 2-(4-benzhydrylpiperazin-1-yl)-4-methyl-1H-pyrimidin-6-one

2-(4-benzhydrylpiperazin-1-yl)-4-methyl-1H-pyrimidin-6-one (PubChem CID 135485468) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is 2-(4-benzhydrylpiperazin-1-yl)-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(4-benzhydrylpiperazin-1-yl)-4-methyl-1H-pyrimidin-6-one
PubChem CID135485468
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC Name2-(4-benzhydrylpiperazin-1-yl)-4-methyl-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(N2CCN(C(c3ccccc3)c3ccccc3)CC2)n1
InChIInChI=1S/C22H24N4O/c1-17-16-20(27)24-22(23-17)26-14-12-25(13-15-26)21(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-11,16,21H,12-15H2,1H3,(H,23,24,27)
InChIKeyZMNJUNYZMKJBBG-UHFFFAOYSA-N
XLogP2.99
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-Methyl-2-[(phenylmethyl)amino]-4(3H)-pyrimidinone
CID 135421723
3-methyl-2-[[(3R,5R)-1-methyl-5-phenyl-piperidin-3-yl]amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one
CID 156619932
2-(Benzylamino)-6-(4-methylphenyl)-4-pyrimidinol
CID 135459328
2-(4-Benzylpiperazin-1-yl)-4-hydroxy-6-phenylpyrimidine-5-carbonitrile
CID 135577790
4-Hydroxy-6-(4-isopropylphenyl)-2-piperidin-1-ylpyrimidine-5-carbonitrile
CID 135412483
4-Hydroxy-2-(4-methylpiperidin-1-yl)-6-phenylpyrimidine-5-carbonitrile
CID 135497667
2-[2-(3-(R)-Aminopiperidin-1-yl)-6-oxo-4-phenyl-6H-pyrimidin-1-ylmethyl]benzonitrile
CID 11188314
2-[2-(3-(r)-Aminopiperidin-1-yl)-4,5-dimethyl-6-oxo-6h-pyrimidin-1-ylmethyl]benzonitrile
CID 11348315
3-[5-(4-Benzylpiperazin-1-yl)pentyl]-6-phenylpyrimidin-4-one
CID 134131151
5-benzyl-6-methyl-2-(4-phenylpiperazin-1-yl)pyrimidin-4(3H)-one
CID 135400037
2-(4-benzylpiperazin-1-yl)-6-methylpyrimidin-4(3H)-one
CID 135414578
4-[(2,6-difluorophenyl)methyl]-2-(1-piperidyl)-1H-pyrimidin-6-one
CID 135434834

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzhydrylpiperazin-1-yl)-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(4-benzhydrylpiperazin-1-yl)-4-methyl-1H-pyrimidin-6-one (CID 135485468) is 2-(4-benzhydrylpiperazin-1-yl)-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(4-benzhydrylpiperazin-1-yl)-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(4-benzhydrylpiperazin-1-yl)-4-methyl-1H-pyrimidin-6-one is Cc1cc(=O)[nH]c(N2CCN(C(c3ccccc3)c3ccccc3)CC2)n1.
What is the InChIKey of 2-(4-benzhydrylpiperazin-1-yl)-4-methyl-1H-pyrimidin-6-one?
The InChIKey is ZMNJUNYZMKJBBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c1-17-16-20(27)24-22(23-17)26-14-12-25(13-15-26)21(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-11,16,21H,12-15H2,1H3,(H,23,24,27).
What are the key properties of 2-(4-benzhydrylpiperazin-1-yl)-4-methyl-1H-pyrimidin-6-one?
2-(4-benzhydrylpiperazin-1-yl)-4-methyl-1H-pyrimidin-6-one has a molecular weight of 360.46 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzhydrylpiperazin-1-yl)-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135485468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).