4-cyclobutyl-N-[1-(dimethylamino)propan-2-yl]-6-methylpyrimidin-2-amine

• ChemBase ID: 700697
• Molecular Formular: C14H24N4
• Molecular Mass: 248.36716
• Monoisotopic Mass: 248.20009679
• SMILES: c1(nc(cc(n1)C)C1CCC1)NC(CN(C)C)C
• Canonical SMILES: CN(CC(Nc1nc(C)cc(n1)C1CCC1)C)C
• InChI: InChI=1S/C14H24N4/c1-10-8-13(12-6-5-7-12)17-14(15-10)16-11(2)9-18(3)4/h8,11-12H,5-7,9H2,1-4H3,(H,15,16,17)
• InChIKey: CNVQLUIVJIMSIB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-cyclobutyl-N-[1-(dimethylamino)propan-2-yl]-6-methylpyrimidin-2-amine
• IUPAC Traditional name: 4-cyclobutyl-N-[1-(dimethylamino)propan-2-yl]-6-methylpyrimidin-2-amine
• Synonyms: N~2~-(4-cyclobutyl-6-methylpyrimidin-2-yl)-N~1~,N~1~-dimethylpropane-1,2-diamine

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.069634
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.027961
• LogD (pH = 7.4): 0.61922055
• Log P: 2.1236243
• Molar Refractivity: 76.4832 cm^3
• Polarizability: 28.736334 Å^3
• Polar Surface Area: 41.05 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: 2.57
• LOG S: -2.2
• Polar Surface Area: 41.05 Å^2
• Rotatable Bonds: 5