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

• ChemBase ID: 348298
• Molecular Formular: C14H18N4
• Molecular Mass: 242.31952
• Monoisotopic Mass: 242.1531466
• SMILES: c1(nc(ccn1)C)N(Cc1ncc(cc1)CC)C
• Canonical SMILES: CCc1ccc(nc1)CN(c1nccc(n1)C)C
• InChI: InChI=1S/C14H18N4/c1-4-12-5-6-13(16-9-12)10-18(3)14-15-8-7-11(2)17-14/h5-9H,4,10H2,1-3H3
• InChIKey: SNLCMQQVOQMEQQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.448374
• LogD (pH = 7.4): 2.5133266
• Log P: 2.514198
• Molar Refractivity: 73.2641 cm^3
• Polarizability: 27.424095 Å^3
• Polar Surface Area: 41.91 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.81
• LOG S: -2.07
• Polar Surface Area: 41.91 Å^2
• Rotatable Bonds: 4