N2,N2-diethyl-6-(5-methylpyridin-3-yl)pyrimidine-2,4-diamine

• ChemBase ID: 862558
• Molecular Formular: C14H19N5
• Molecular Mass: 257.33416
• Monoisotopic Mass: 257.16404563
• SMILES: c1(nc(cc(n1)c1cc(cnc1)C)N)N(CC)CC
• Canonical SMILES: CCN(c1nc(N)cc(n1)c1cncc(c1)C)CC
• InChI: InChI=1S/C14H19N5/c1-4-19(5-2)14-17-12(7-13(15)18-14)11-6-10(3)8-16-9-11/h6-9H,4-5H2,1-3H3,(H2,15,17,18)
• InChIKey: VWGLKPJYKWSCOP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N2,N2-diethyl-6-(5-methylpyridin-3-yl)pyrimidine-2,4-diamine
• IUPAC Traditional name: N2,N2-diethyl-6-(5-methylpyridin-3-yl)pyrimidine-2,4-diamine
• Synonyms: N~2~,N~2~-diethyl-6-(5-methylpyridin-3-yl)pyrimidine-2,4-diamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 1.7747004
• LogD (pH = 7.4): 2.609502
• Log P: 2.6445374
• Molar Refractivity: 79.2565 cm^3
• Polarizability: 30.01408 Å^3
• Polar Surface Area: 67.93 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.01
• LOG S: -3.65
• Polar Surface Area: 67.93 Å^2
• Rotatable Bonds: 4