{[4-(4,6-dimethoxypyrimidin-2-yl)phenyl]methyl}dimethylamine

• ChemBase ID: 694605
• Molecular Formular: C15H19N3O2
• Molecular Mass: 273.33026
• Monoisotopic Mass: 273.14772686
• SMILES: c1(nc(cc(n1)OC)OC)c1ccc(CN(C)C)cc1
• Canonical SMILES: COc1cc(OC)nc(n1)c1ccc(cc1)CN(C)C
• InChI: InChI=1S/C15H19N3O2/c1-18(2)10-11-5-7-12(8-6-11)15-16-13(19-3)9-14(17-15)20-4/h5-9H,10H2,1-4H3
• InChIKey: LEJRPWJLVKPYCE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {[4-(4,6-dimethoxypyrimidin-2-yl)phenyl]methyl}dimethylamine
• IUPAC Traditional name: {[4-(4,6-dimethoxypyrimidin-2-yl)phenyl]methyl}dimethylamine
• Synonyms: 1-[4-(4,6-dimethoxy-2-pyrimidinyl)phenyl]-N,N-dimethylmethanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 0.1794131
• LogD (pH = 7.4): 1.9414735
• Log P: 3.1906252
• Molar Refractivity: 90.2295 cm^3
• Polarizability: 30.904476 Å^3
• Polar Surface Area: 47.48 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 3.1
• LOG S: -2.84
• Polar Surface Area: 47.48 Å^2
• Rotatable Bonds: 5