4-cyclobutyl-6-methyl-2-(3-phenylpiperazin-1-yl)pyrimidine

• ChemBase ID: 696464
• Molecular Formular: C19H24N4
• Molecular Mass: 308.42066
• Monoisotopic Mass: 308.20009679
• SMILES: c1(nc(cc(n1)C)C1CCC1)N1CC(NCC1)c1ccccc1
• Canonical SMILES: Cc1nc(nc(c1)C1CCC1)N1CCNC(C1)c1ccccc1
• InChI: InChI=1S/C19H24N4/c1-14-12-17(15-8-5-9-15)22-19(21-14)23-11-10-20-18(13-23)16-6-3-2-4-7-16/h2-4,6-7,12,15,18,20H,5,8-11,13H2,1H3
• InChIKey: USSJLJVRYMIVJU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-cyclobutyl-6-methyl-2-(3-phenylpiperazin-1-yl)pyrimidine
• IUPAC Traditional name: 4-cyclobutyl-6-methyl-2-(3-phenylpiperazin-1-yl)pyrimidine
• Synonyms: 4-cyclobutyl-6-methyl-2-(3-phenylpiperazin-1-yl)pyrimidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.8244297
• LogD (pH = 7.4): 2.5213766
• Log P: 3.5719824
• Molar Refractivity: 93.3183 cm^3
• Polarizability: 35.769367 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: 3.96
• LOG S: -3.82
• Polar Surface Area: 41.05 Å^2
• Rotatable Bonds: 3