5-ethyl-N-[1-(6-methylpyridin-2-yl)propan-2-yl]pyrimidin-2-amine

• ChemBase ID: 845589
• Molecular Formular: C15H20N4
• Molecular Mass: 256.3461
• Monoisotopic Mass: 256.16879666
• SMILES: c1(ncc(cn1)CC)NC(Cc1nc(ccc1)C)C
• Canonical SMILES: CCc1cnc(nc1)NC(Cc1cccc(n1)C)C
• InChI: InChI=1S/C15H20N4/c1-4-13-9-16-15(17-10-13)19-12(3)8-14-7-5-6-11(2)18-14/h5-7,9-10,12H,4,8H2,1-3H3,(H,16,17,19)
• InChIKey: GUJBBMBKHHSQNO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-ethyl-N-[1-(6-methylpyridin-2-yl)propan-2-yl]pyrimidin-2-amine
• IUPAC Traditional name: 5-ethyl-N-[1-(6-methylpyridin-2-yl)propan-2-yl]pyrimidin-2-amine
• Synonyms: 5-ethyl-N-[1-methyl-2-(6-methylpyridin-2-yl)ethyl]pyrimidin-2-amine

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.753067
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.8517344
• LogD (pH = 7.4): 2.5113962
• Log P: 2.53252
• Molar Refractivity: 78.1475 cm^3
• Polarizability: 29.194174 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: 2.72
• LOG S: -2.09
• Polar Surface Area: 50.7 Å^2
• Rotatable Bonds: 5