4-cyclobutyl-6-methyl-N-[1-(6-methylpyridin-2-yl)propyl]pyrimidin-2-amine

• ChemBase ID: 744636
• Molecular Formular: C18H24N4
• Molecular Mass: 296.40996
• Monoisotopic Mass: 296.20009679
• SMILES: c1(nc(cc(n1)C)C1CCC1)NC(c1nc(ccc1)C)CC
• Canonical SMILES: CCC(c1cccc(n1)C)Nc1nc(C)cc(n1)C1CCC1
• InChI: InChI=1S/C18H24N4/c1-4-15(16-10-5-7-12(2)19-16)21-18-20-13(3)11-17(22-18)14-8-6-9-14/h5,7,10-11,14-15H,4,6,8-9H2,1-3H3,(H,20,21,22)
• InChIKey: MSCBXVZUUYLTFG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-cyclobutyl-6-methyl-N-[1-(6-methylpyridin-2-yl)propyl]pyrimidin-2-amine
• IUPAC Traditional name: 4-cyclobutyl-6-methyl-N-[1-(6-methylpyridin-2-yl)propyl]pyrimidin-2-amine
• Synonyms: 4-cyclobutyl-6-methyl-N-[1-(6-methylpyridin-2-yl)propyl]pyrimidin-2-amine

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.760943
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 3.4215317
• LogD (pH = 7.4): 3.498271
• Log P: 3.4993343
• Molar Refractivity: 89.5882 cm^3
• Polarizability: 33.98733 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: 3.69
• LOG S: -3.21
• Polar Surface Area: 50.7 Å^2
• Rotatable Bonds: 5