2-[(4-cyclobutyl-6-methylpyrimidin-2-yl)amino]-N-(2-fluoro-4-methylphenyl)acetamide

• ChemBase ID: 416639
• Molecular Formular: C18H21FN4O
• Molecular Mass: 328.3839432
• Monoisotopic Mass: 328.16993953
• SMILES: c1(nc(cc(n1)C)C1CCC1)NCC(=O)Nc1c(cc(cc1)C)F
• Canonical SMILES: O=C(Nc1ccc(cc1F)C)CNc1nc(C)cc(n1)C1CCC1
• InChI: InChI=1S/C18H21FN4O/c1-11-6-7-15(14(19)8-11)22-17(24)10-20-18-21-12(2)9-16(23-18)13-4-3-5-13/h6-9,13H,3-5,10H2,1-2H3,(H,22,24)(H,20,21,23)
• InChIKey: NZSCTASVXZEDIR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(4-cyclobutyl-6-methylpyrimidin-2-yl)amino]-N-(2-fluoro-4-methylphenyl)acetamide
• IUPAC Traditional name: 2-[(4-cyclobutyl-6-methylpyrimidin-2-yl)amino]-N-(2-fluoro-4-methylphenyl)acetamide
• Synonyms: N~2~-(4-cyclobutyl-6-methylpyrimidin-2-yl)-N~1~-(2-fluoro-4-methylphenyl)glycinamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.665246
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 3.1836638
• LogD (pH = 7.4): 3.2557862
• Log P: 3.2568133
• Molar Refractivity: 93.6648 cm^3
• Polarizability: 33.91739 Å^3
• Polar Surface Area: 66.91 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 3.35
• LOG S: -4.46
• Polar Surface Area: 66.91 Å^2
• Rotatable Bonds: 5