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

• ChemBase ID: 341126
• Molecular Formular: C15H24N4
• Molecular Mass: 260.37786
• Monoisotopic Mass: 260.20009679
• SMILES: c1(nc(cc(n1)C)C1CCC1)N1CCN(CC1)CC
• Canonical SMILES: CCN1CCN(CC1)c1nc(C)cc(n1)C1CCC1
• InChI: InChI=1S/C15H24N4/c1-3-18-7-9-19(10-8-18)15-16-12(2)11-14(17-15)13-5-4-6-13/h11,13H,3-10H2,1-2H3
• InChIKey: PMLBNBITDQZHRP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.49330518
• LogD (pH = 7.4): 2.1502697
• Log P: 2.5275981
• Molar Refractivity: 79.0788 cm^3
• Polarizability: 29.847616 Å^3
• Polar Surface Area: 32.26 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.34
• LOG S: -2.94
• Polar Surface Area: 32.26 Å^2
• Rotatable Bonds: 3