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

• ChemBase ID: 570175
• Molecular Formular: C12H17N5O2
• Molecular Mass: 263.29568
• Monoisotopic Mass: 263.13822481
• SMILES: n1c(N(Cc2nc(on2)CC)C)nccc1OCC
• Canonical SMILES: CCOc1ccnc(n1)N(Cc1noc(n1)CC)C
• InChI: InChI=1S/C12H17N5O2/c1-4-10-14-9(16-19-10)8-17(3)12-13-7-6-11(15-12)18-5-2/h6-7H,4-5,8H2,1-3H3
• InChIKey: UNQFLJKBDWHXFW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 2.4402602
• LogD (pH = 7.4): 2.4821796
• Log P: 2.4827437
• Molar Refractivity: 72.4292 cm^3
• Polarizability: 26.098408 Å^3
• Polar Surface Area: 77.17 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 1.99
• LOG S: -2.82
• Polar Surface Area: 77.17 Å^2
• Rotatable Bonds: 6