6-(2,5-dimethoxyphenyl)-N,N-dimethylpyrimidin-4-amine

• ChemBase ID: 676926
• Molecular Formular: C14H17N3O2
• Molecular Mass: 259.30368
• Monoisotopic Mass: 259.1320768
• SMILES: c1c(ncnc1c1c(ccc(c1)OC)OC)N(C)C
• Canonical SMILES: COc1ccc(c(c1)c1ncnc(c1)N(C)C)OC
• InChI: InChI=1S/C14H17N3O2/c1-17(2)14-8-12(15-9-16-14)11-7-10(18-3)5-6-13(11)19-4/h5-9H,1-4H3
• InChIKey: XTKZURAWYNOKCX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(2,5-dimethoxyphenyl)-N,N-dimethylpyrimidin-4-amine
• IUPAC Traditional name: 6-(2,5-dimethoxyphenyl)-N,N-dimethylpyrimidin-4-amine
• Synonyms: 6-(2,5-dimethoxyphenyl)-N,N-dimethylpyrimidin-4-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 2.4565485
• LogD (pH = 7.4): 2.4697983
• Log P: 2.46997
• Molar Refractivity: 75.155 cm^3
• Polarizability: 29.347834 Å^3
• Polar Surface Area: 47.48 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.97
• LOG S: -2.77
• Polar Surface Area: 47.48 Å^2
• Rotatable Bonds: 4