6-(2,4-dimethoxyphenyl)-N2,N2-diethylpyrimidine-2,4-diamine

• ChemBase ID: 570095
• Molecular Formular: C16H22N4O2
• Molecular Mass: 302.37148
• Monoisotopic Mass: 302.17427596
• SMILES: c1(nc(cc(n1)c1c(cc(cc1)OC)OC)N)N(CC)CC
• Canonical SMILES: CCN(c1nc(N)cc(n1)c1ccc(cc1OC)OC)CC
• InChI: InChI=1S/C16H22N4O2/c1-5-20(6-2)16-18-13(10-15(17)19-16)12-8-7-11(21-3)9-14(12)22-4/h7-10H,5-6H2,1-4H3,(H2,17,18,19)
• InChIKey: VTJQSMYDKIMCKX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(2,4-dimethoxyphenyl)-N2,N2-diethylpyrimidine-2,4-diamine
• IUPAC Traditional name: 6-(2,4-dimethoxyphenyl)-N2,N2-diethylpyrimidine-2,4-diamine
• Synonyms: 6-(2,4-dimethoxyphenyl)-N~2~,N~2~-diethylpyrimidine-2,4-diamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 2.3367133
• LogD (pH = 7.4): 3.0112638
• Log P: 3.033446
• Molar Refractivity: 89.2986 cm^3
• Polarizability: 34.16529 Å^3
• Polar Surface Area: 73.5 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 3.21
• LOG S: -4.15
• Polar Surface Area: 73.5 Å^2
• Rotatable Bonds: 6