4-cyclobutyl-2-(3-ethylpiperazin-1-yl)-6-methylpyrimidine

• ChemBase ID: 569864
• Molecular Formular: C15H24N4
• Molecular Mass: 260.37786
• Monoisotopic Mass: 260.20009679
• SMILES: c1(nc(cc(n1)C)C1CCC1)N1CC(NCC1)CC
• Canonical SMILES: CCC1NCCN(C1)c1nc(C)cc(n1)C1CCC1
• InChI: InChI=1S/C15H24N4/c1-3-13-10-19(8-7-16-13)15-17-11(2)9-14(18-15)12-5-4-6-12/h9,12-13,16H,3-8,10H2,1-2H3
• InChIKey: PJIIPLGQUYQKDD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-cyclobutyl-2-(3-ethylpiperazin-1-yl)-6-methylpyrimidine
• IUPAC Traditional name: 4-cyclobutyl-2-(3-ethylpiperazin-1-yl)-6-methylpyrimidine
• Synonyms: 4-cyclobutyl-2-(3-ethylpiperazin-1-yl)-6-methylpyrimidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.29730695
• LogD (pH = 7.4): 1.1971915
• Log P: 2.7268395
• Molar Refractivity: 77.9783 cm^3
• Polarizability: 29.84761 Å^3
• Polar Surface Area: 41.05 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.36
• LOG S: -2.96
• Polar Surface Area: 41.05 Å^2
• Rotatable Bonds: 3