2-ethyl-N-[(5-ethylpyridin-2-yl)methyl]-N,6-dimethylpyrimidin-4-amine

• ChemBase ID: 334391
• Molecular Formular: C16H22N4
• Molecular Mass: 270.37268
• Monoisotopic Mass: 270.18444672
• SMILES: c1(nc(nc(c1)C)CC)N(Cc1ncc(cc1)CC)C
• Canonical SMILES: CCc1ccc(nc1)CN(c1cc(C)nc(n1)CC)C
• InChI: InChI=1S/C16H22N4/c1-5-13-7-8-14(17-10-13)11-20(4)16-9-12(3)18-15(6-2)19-16/h7-10H,5-6,11H2,1-4H3
• InChIKey: UPIVDZPOONLKKJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-ethyl-N-[(5-ethylpyridin-2-yl)methyl]-N,6-dimethylpyrimidin-4-amine
• IUPAC Traditional name: 2-ethyl-N-[(5-ethylpyridin-2-yl)methyl]-N,6-dimethylpyrimidin-4-amine
• Synonyms: 2-ethyl-N-[(5-ethylpyridin-2-yl)methyl]-N,6-dimethylpyrimidin-4-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.4486365
• LogD (pH = 7.4): 3.7031994
• Log P: 3.8044302
• Molar Refractivity: 82.8829 cm^3
• Polarizability: 31.029144 Å^3
• Polar Surface Area: 41.91 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.42
• LOG S: -2.79
• Polar Surface Area: 41.91 Å^2
• Rotatable Bonds: 5