6-[2-(benzyloxy)ethyl]-N,N-dimethylpyrimidin-4-amine

• ChemBase ID: 718369
• Molecular Formular: C15H19N3O
• Molecular Mass: 257.33086
• Monoisotopic Mass: 257.15281224
• SMILES: c1(cc(ncn1)CCOCc1ccccc1)N(C)C
• Canonical SMILES: CN(c1ncnc(c1)CCOCc1ccccc1)C
• InChI: InChI=1S/C15H19N3O/c1-18(2)15-10-14(16-12-17-15)8-9-19-11-13-6-4-3-5-7-13/h3-7,10,12H,8-9,11H2,1-2H3
• InChIKey: XWZUIYSVDZBGOD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-[2-(benzyloxy)ethyl]-N,N-dimethylpyrimidin-4-amine
• IUPAC Traditional name: 6-[2-(benzyloxy)ethyl]-N,N-dimethylpyrimidin-4-amine
• Synonyms: 6-[2-(benzyloxy)ethyl]-N,N-dimethylpyrimidin-4-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.3798237
• LogD (pH = 7.4): 2.6657245
• Log P: 2.6709714
• Molar Refractivity: 77.8213 cm^3
• Polarizability: 29.085354 Å^3
• Polar Surface Area: 38.25 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.57
• LOG S: -3.27
• Polar Surface Area: 38.25 Å^2
• Rotatable Bonds: 6