4-cyclobutyl-N-[cyclopropyl(3-methylpyridin-2-yl)methyl]-6-methylpyrimidin-2-amine

• ChemBase ID: 619801
• Molecular Formular: C19H24N4
• Molecular Mass: 308.42066
• Monoisotopic Mass: 308.20009679
• SMILES: c1(nc(cc(n1)C)C1CCC1)NC(c1ncccc1C)C1CC1
• Canonical SMILES: Cc1nc(nc(c1)C1CCC1)NC(c1ncccc1C)C1CC1
• InChI: InChI=1S/C19H24N4/c1-12-5-4-10-20-17(12)18(15-8-9-15)23-19-21-13(2)11-16(22-19)14-6-3-7-14/h4-5,10-11,14-15,18H,3,6-9H2,1-2H3,(H,21,22,23)
• InChIKey: ZGGLDOFLKAYIAK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-cyclobutyl-N-[cyclopropyl(3-methylpyridin-2-yl)methyl]-6-methylpyrimidin-2-amine
• IUPAC Traditional name: 4-cyclobutyl-N-[cyclopropyl(3-methylpyridin-2-yl)methyl]-6-methylpyrimidin-2-amine
• Synonyms: 4-cyclobutyl-N-[cyclopropyl(3-methylpyridin-2-yl)methyl]-6-methylpyrimidin-2-amine

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.653901
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 3.7072735
• LogD (pH = 7.4): 3.7816014
• Log P: 3.7826324
• Molar Refractivity: 92.7073 cm^3
• Polarizability: 35.098526 Å^3
• Polar Surface Area: 50.7 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.53
• LOG S: -3.16
• Polar Surface Area: 50.7 Å^2
• Rotatable Bonds: 5