6-[4-(2-methoxyethoxy)phenyl]-N2,N2-dimethylpyrimidine-2,4-diamine

• ChemBase ID: 699643
• Molecular Formular: C15H20N4O2
• Molecular Mass: 288.3449
• Monoisotopic Mass: 288.1586259
• SMILES: c1(nc(cc(n1)c1ccc(cc1)OCCOC)N)N(C)C
• Canonical SMILES: COCCOc1ccc(cc1)c1cc(N)nc(n1)N(C)C
• InChI: InChI=1S/C15H20N4O2/c1-19(2)15-17-13(10-14(16)18-15)11-4-6-12(7-5-11)21-9-8-20-3/h4-7,10H,8-9H2,1-3H3,(H2,16,17,18)
• InChIKey: SPACFIREZXOAGT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-[4-(2-methoxyethoxy)phenyl]-N2,N2-dimethylpyrimidine-2,4-diamine
• IUPAC Traditional name: 6-[4-(2-methoxyethoxy)phenyl]-N2,N2-dimethylpyrimidine-2,4-diamine
• Synonyms: 6-[4-(2-methoxyethoxy)phenyl]-N~2~,N~2~-dimethylpyrimidine-2,4-diamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 1.1330919
• LogD (pH = 7.4): 2.315824
• Log P: 2.4305258
• Molar Refractivity: 84.3817 cm^3
• Polarizability: 32.33357 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: 2.26
• LOG S: -3.23
• Polar Surface Area: 73.5 Å^2
• Rotatable Bonds: 6