5-butyl-4-methyl-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one

C14H24N4O — CID 135644655

IUPAC5-butyl-4-methyl-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one
SMILESCCCCc1c(C)nc(N2CCN(C)CC2)[nH]c1=O
InChIInChI=1S/C14H24N4O/c1-4-5-6-12-11(2)15-14(16-13(12)19)18-9-7-17(3)8-10-18/h4-10H2,1-3H3,(H,15,16,19)
InChIKeyHTDHQJIXUPGTCG-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.17
Rot. Bonds4

About 5-butyl-4-methyl-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one

5-butyl-4-methyl-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one (PubChem CID 135644655) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 5-butyl-4-methyl-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-butyl-4-methyl-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one
PubChem CID135644655
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name5-butyl-4-methyl-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one
SMILESCCCCc1c(C)nc(N2CCN(C)CC2)[nH]c1=O
InChIInChI=1S/C14H24N4O/c1-4-5-6-12-11(2)15-14(16-13(12)19)18-9-7-17(3)8-10-18/h4-10H2,1-3H3,(H,15,16,19)
InChIKeyHTDHQJIXUPGTCG-UHFFFAOYSA-N
XLogP1.17
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-butyl-4-methyl-2-(4-methylpiperazin-1-yl)-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 5-butyl-4-methyl-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one?
The IUPAC name of 5-butyl-4-methyl-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one (CID 135644655) is 5-butyl-4-methyl-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-butyl-4-methyl-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-butyl-4-methyl-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one is CCCCc1c(C)nc(N2CCN(C)CC2)[nH]c1=O.
What is the InChIKey of 5-butyl-4-methyl-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one?
The InChIKey is HTDHQJIXUPGTCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-4-5-6-12-11(2)15-14(16-13(12)19)18-9-7-17(3)8-10-18/h4-10H2,1-3H3,(H,15,16,19).
What are the key properties of 5-butyl-4-methyl-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one?
5-butyl-4-methyl-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one has a molecular weight of 264.37 g/mol, XLogP of 1.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-4-methyl-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 135644655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).