2-(4-benzylpiperazin-1-yl)-4-methyl-5-[(4-methylphenyl)methyl]-1H-pyrimidin-6-one

C24H28N4O — CID 135445386

IUPAC2-(4-benzylpiperazin-1-yl)-4-methyl-5-[(4-methylphenyl)methyl]-1H-pyrimidin-6-one
SMILESCc1ccc(Cc2c(C)nc(N3CCN(Cc4ccccc4)CC3)[nH]c2=O)cc1
InChIInChI=1S/C24H28N4O/c1-18-8-10-20(11-9-18)16-22-19(2)25-24(26-23(22)29)28-14-12-27(13-15-28)17-21-6-4-3-5-7-21/h3-11H,12-17H2,1-2H3,(H,25,26,29)
InChIKeyQSFJKSQJPNIRQW-UHFFFAOYSA-N
MW388.52 g/mol
LogP3.30
Rot. Bonds5

About 2-(4-benzylpiperazin-1-yl)-4-methyl-5-[(4-methylphenyl)methyl]-1H-pyrimidin-6-one

2-(4-benzylpiperazin-1-yl)-4-methyl-5-[(4-methylphenyl)methyl]-1H-pyrimidin-6-one (PubChem CID 135445386) has the molecular formula C24H28N4O and a molecular weight of 388.52 g/mol. Its IUPAC name is 2-(4-benzylpiperazin-1-yl)-4-methyl-5-[(4-methylphenyl)methyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(4-benzylpiperazin-1-yl)-4-methyl-5-[(4-methylphenyl)methyl]-1H-pyrimidin-6-one
PubChem CID135445386
Molecular FormulaC24H28N4O
Molecular Weight388.52 g/mol
Exact Mass388.23
IUPAC Name2-(4-benzylpiperazin-1-yl)-4-methyl-5-[(4-methylphenyl)methyl]-1H-pyrimidin-6-one
SMILESCc1ccc(Cc2c(C)nc(N3CCN(Cc4ccccc4)CC3)[nH]c2=O)cc1
InChIInChI=1S/C24H28N4O/c1-18-8-10-20(11-9-18)16-22-19(2)25-24(26-23(22)29)28-14-12-27(13-15-28)17-21-6-4-3-5-7-21/h3-11H,12-17H2,1-2H3,(H,25,26,29)
InChIKeyQSFJKSQJPNIRQW-UHFFFAOYSA-N
XLogP3.30
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.52
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-benzyl-4-methyl-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one
CID 135417579
4-methyl-5-[(4-methylphenyl)methyl]-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one
CID 135644715
2-(4-benzhydrylpiperazin-1-yl)-4-methyl-5-[(4-methylphenyl)methyl]-1H-pyrimidin-6-one
CID 135644719
2-(4-benzylpiperazin-1-yl)-5-hexyl-4-methyl-1H-pyrimidin-6-one
CID 135762180
2-[4-(4-fluorophenyl)piperazin-1-yl]-4-methyl-5-[(4-methylphenyl)methyl]-1H-pyrimidin-6-one
CID 135624606
2-(4-benzhydrylpiperazin-1-yl)-5-[(4-chlorophenyl)methyl]-4-methyl-1H-pyrimidin-6-one
CID 135644686
2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-4-methyl-5-[(4-methylphenyl)methyl]-1H-pyrimidin-6-one
CID 135571636
5-[(4-chlorophenyl)methyl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-4-methyl-1H-pyrimidin-6-one
CID 135644716
2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-methyl-5-[(4-propan-2-ylphenyl)methyl]-1H-pyrimidin-6-one
CID 135587536
5-[(4-bromophenyl)methyl]-2-[4-(furan-2-carbonyl)piperazin-1-yl]-4-methyl-1H-pyrimidin-6-one
CID 135687595
5-benzyl-2-cyclopropyl-4-methyl-1H-pyrimidin-6-one
CID 136910492
2-amino-5-benzyl-4-methyl-1H-pyrimidin-6-one
CID 135469356

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperazin-1-yl)-4-methyl-5-[(4-methylphenyl)methyl]-1H-pyrimidin-6-one?
The IUPAC name of 2-(4-benzylpiperazin-1-yl)-4-methyl-5-[(4-methylphenyl)methyl]-1H-pyrimidin-6-one (CID 135445386) is 2-(4-benzylpiperazin-1-yl)-4-methyl-5-[(4-methylphenyl)methyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(4-benzylpiperazin-1-yl)-4-methyl-5-[(4-methylphenyl)methyl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-(4-benzylpiperazin-1-yl)-4-methyl-5-[(4-methylphenyl)methyl]-1H-pyrimidin-6-one is Cc1ccc(Cc2c(C)nc(N3CCN(Cc4ccccc4)CC3)[nH]c2=O)cc1.
What is the InChIKey of 2-(4-benzylpiperazin-1-yl)-4-methyl-5-[(4-methylphenyl)methyl]-1H-pyrimidin-6-one?
The InChIKey is QSFJKSQJPNIRQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O/c1-18-8-10-20(11-9-18)16-22-19(2)25-24(26-23(22)29)28-14-12-27(13-15-28)17-21-6-4-3-5-7-21/h3-11H,12-17H2,1-2H3,(H,25,26,29).
What are the key properties of 2-(4-benzylpiperazin-1-yl)-4-methyl-5-[(4-methylphenyl)methyl]-1H-pyrimidin-6-one?
2-(4-benzylpiperazin-1-yl)-4-methyl-5-[(4-methylphenyl)methyl]-1H-pyrimidin-6-one has a molecular weight of 388.52 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylpiperazin-1-yl)-4-methyl-5-[(4-methylphenyl)methyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 135445386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).