2-methyl-5-[4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]-1H-pyrimidin-6-one

C18H22N4O2 — CID 56882008

IUPAC2-methyl-5-[4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]-1H-pyrimidin-6-one
SMILESCc1cccc(CN2CCN(C(=O)c3cnc(C)[nH]c3=O)CC2)c1
InChIInChI=1S/C18H22N4O2/c1-13-4-3-5-15(10-13)12-21-6-8-22(9-7-21)18(24)16-11-19-14(2)20-17(16)23/h3-5,10-11H,6-9,12H2,1-2H3,(H,19,20,23)
InChIKeyOLKWPLAJPVIVMN-UHFFFAOYSA-N
MW326.40 g/mol
LogP1.34
Rot. Bonds3

About 2-methyl-5-[4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]-1H-pyrimidin-6-one

2-methyl-5-[4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]-1H-pyrimidin-6-one (PubChem CID 56882008) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 2-methyl-5-[4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-methyl-5-[4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]-1H-pyrimidin-6-one
PubChem CID56882008
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name2-methyl-5-[4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]-1H-pyrimidin-6-one
SMILESCc1cccc(CN2CCN(C(=O)c3cnc(C)[nH]c3=O)CC2)c1
InChIInChI=1S/C18H22N4O2/c1-13-4-3-5-15(10-13)12-21-6-8-22(9-7-21)18(24)16-11-19-14(2)20-17(16)23/h3-5,10-11H,6-9,12H2,1-2H3,(H,19,20,23)
InChIKeyOLKWPLAJPVIVMN-UHFFFAOYSA-N
XLogP1.34
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-methyl-5-[4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]-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-methyl-5-[4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]-1H-pyrimidin-6-one?
The IUPAC name of 2-methyl-5-[4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]-1H-pyrimidin-6-one (CID 56882008) is 2-methyl-5-[4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-methyl-5-[4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-methyl-5-[4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]-1H-pyrimidin-6-one is Cc1cccc(CN2CCN(C(=O)c3cnc(C)[nH]c3=O)CC2)c1.
What is the InChIKey of 2-methyl-5-[4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]-1H-pyrimidin-6-one?
The InChIKey is OLKWPLAJPVIVMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-13-4-3-5-15(10-13)12-21-6-8-22(9-7-21)18(24)16-11-19-14(2)20-17(16)23/h3-5,10-11H,6-9,12H2,1-2H3,(H,19,20,23).
What are the key properties of 2-methyl-5-[4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]-1H-pyrimidin-6-one?
2-methyl-5-[4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]-1H-pyrimidin-6-one has a molecular weight of 326.40 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 56882008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).