3-methyl-6-(3-methyl-4-pyridin-4-ylpiperazin-1-yl)pyrimidin-4-one

C15H19N5O — CID 154769279

IUPAC3-methyl-6-(3-methyl-4-pyridin-4-ylpiperazin-1-yl)pyrimidin-4-one
SMILESCC1CN(c2cc(=O)n(C)cn2)CCN1c1ccncc1
InChIInChI=1S/C15H19N5O/c1-12-10-19(14-9-15(21)18(2)11-17-14)7-8-20(12)13-3-5-16-6-4-13/h3-6,9,11-12H,7-8,10H2,1-2H3
InChIKeyHOFCZDRSZIUCPS-UHFFFAOYSA-N
MW285.35 g/mol
LogP0.89
Rot. Bonds2

About 3-methyl-6-(3-methyl-4-pyridin-4-ylpiperazin-1-yl)pyrimidin-4-one

3-methyl-6-(3-methyl-4-pyridin-4-ylpiperazin-1-yl)pyrimidin-4-one (PubChem CID 154769279) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is 3-methyl-6-(3-methyl-4-pyridin-4-ylpiperazin-1-yl)pyrimidin-4-one.

Molecular Properties

Compound Name3-methyl-6-(3-methyl-4-pyridin-4-ylpiperazin-1-yl)pyrimidin-4-one
PubChem CID154769279
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC Name3-methyl-6-(3-methyl-4-pyridin-4-ylpiperazin-1-yl)pyrimidin-4-one
SMILESCC1CN(c2cc(=O)n(C)cn2)CCN1c1ccncc1
InChIInChI=1S/C15H19N5O/c1-12-10-19(14-9-15(21)18(2)11-17-14)7-8-20(12)13-3-5-16-6-4-13/h3-6,9,11-12H,7-8,10H2,1-2H3
InChIKeyHOFCZDRSZIUCPS-UHFFFAOYSA-N
XLogP0.89
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-methyl-6-(3-methyl-4-pyridin-4-ylpiperazin-1-yl)pyrimidin-4-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 3-methyl-6-(3-methyl-4-pyridin-4-ylpiperazin-1-yl)pyrimidin-4-one?
The IUPAC name of 3-methyl-6-(3-methyl-4-pyridin-4-ylpiperazin-1-yl)pyrimidin-4-one (CID 154769279) is 3-methyl-6-(3-methyl-4-pyridin-4-ylpiperazin-1-yl)pyrimidin-4-one.
What is the SMILES notation for 3-methyl-6-(3-methyl-4-pyridin-4-ylpiperazin-1-yl)pyrimidin-4-one?
The canonical SMILES for 3-methyl-6-(3-methyl-4-pyridin-4-ylpiperazin-1-yl)pyrimidin-4-one is CC1CN(c2cc(=O)n(C)cn2)CCN1c1ccncc1.
What is the InChIKey of 3-methyl-6-(3-methyl-4-pyridin-4-ylpiperazin-1-yl)pyrimidin-4-one?
The InChIKey is HOFCZDRSZIUCPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O/c1-12-10-19(14-9-15(21)18(2)11-17-14)7-8-20(12)13-3-5-16-6-4-13/h3-6,9,11-12H,7-8,10H2,1-2H3.
What are the key properties of 3-methyl-6-(3-methyl-4-pyridin-4-ylpiperazin-1-yl)pyrimidin-4-one?
3-methyl-6-(3-methyl-4-pyridin-4-ylpiperazin-1-yl)pyrimidin-4-one has a molecular weight of 285.35 g/mol, XLogP of 0.89, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-(3-methyl-4-pyridin-4-ylpiperazin-1-yl)pyrimidin-4-one is sourced from PubChem (CID 154769279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).