N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-6-methoxy-N-methylpyrimidin-4-amine

• ChemBase ID: 736586
• Molecular Formular: C11H15N5O2
• Molecular Mass: 249.2691
• Monoisotopic Mass: 249.12257475
• SMILES: c1(nnc(o1)CC)CN(c1cc(ncn1)OC)C
• Canonical SMILES: CCc1nnc(o1)CN(c1ncnc(c1)OC)C
• InChI: InChI=1S/C11H15N5O2/c1-4-9-14-15-11(18-9)6-16(2)8-5-10(17-3)13-7-12-8/h5,7H,4,6H2,1-3H3
• InChIKey: XSUZFFVCIDRLFO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-6-methoxy-N-methylpyrimidin-4-amine
• IUPAC Traditional name: N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-6-methoxy-N-methylpyrimidin-4-amine
• Synonyms: N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-6-methoxy-N-methylpyrimidin-4-amine

CALCULATED PROPERTIES

供应商提供(Chembridge)

• Rotatable Bonds: 5
• H Acceptors: 6
• H Donor: 0
• Log P: 0.41
• LOG S: -1.37
• Polar Surface Area: 77.17 Å^2

JChem

• Lipinski's Rule of Five: true
• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 0.72802407
• LogD (pH = 7.4): 0.790839
• Log P: 0.791703
• Molar Refractivity: 68.1739 cm^3
• Polarizability: 24.267418 Å^3
• Polar Surface Area: 77.17 Å^2
• Rotatable Bonds: 5