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

C16H20N4O — CID 135414578

IUPAC2-(4-benzylpiperazin-1-yl)-4-methyl-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(N2CCN(Cc3ccccc3)CC2)n1
InChIInChI=1S/C16H20N4O/c1-13-11-15(21)18-16(17-13)20-9-7-19(8-10-20)12-14-5-3-2-4-6-14/h2-6,11H,7-10,12H2,1H3,(H,17,18,21)
InChIKeyAQSRLOWDIDQDBF-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.40
Rot. Bonds3

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

2-(4-benzylpiperazin-1-yl)-4-methyl-1H-pyrimidin-6-one (PubChem CID 135414578) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-(4-benzylpiperazin-1-yl)-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(4-benzylpiperazin-1-yl)-4-methyl-1H-pyrimidin-6-one
PubChem CID135414578
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name2-(4-benzylpiperazin-1-yl)-4-methyl-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(N2CCN(Cc3ccccc3)CC2)n1
InChIInChI=1S/C16H20N4O/c1-13-11-15(21)18-16(17-13)20-9-7-19(8-10-20)12-14-5-3-2-4-6-14/h2-6,11H,7-10,12H2,1H3,(H,17,18,21)
InChIKeyAQSRLOWDIDQDBF-UHFFFAOYSA-N
XLogP1.40
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4-benzylpiperazin-1-yl)-4-methyl-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperazin-1-yl)-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(4-benzylpiperazin-1-yl)-4-methyl-1H-pyrimidin-6-one (CID 135414578) is 2-(4-benzylpiperazin-1-yl)-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(4-benzylpiperazin-1-yl)-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(4-benzylpiperazin-1-yl)-4-methyl-1H-pyrimidin-6-one is Cc1cc(=O)[nH]c(N2CCN(Cc3ccccc3)CC2)n1.
What is the InChIKey of 2-(4-benzylpiperazin-1-yl)-4-methyl-1H-pyrimidin-6-one?
The InChIKey is AQSRLOWDIDQDBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-13-11-15(21)18-16(17-13)20-9-7-19(8-10-20)12-14-5-3-2-4-6-14/h2-6,11H,7-10,12H2,1H3,(H,17,18,21).
What are the key properties of 2-(4-benzylpiperazin-1-yl)-4-methyl-1H-pyrimidin-6-one?
2-(4-benzylpiperazin-1-yl)-4-methyl-1H-pyrimidin-6-one has a molecular weight of 284.36 g/mol, XLogP of 1.40, 3 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-1H-pyrimidin-6-one is sourced from PubChem (CID 135414578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).