2-(2-amino-4,6-dimethylpyrimidin-5-yl)-N-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]acetamide

• ChemBase ID: 626902
• Molecular Formular: C17H24N6O2
• Molecular Mass: 344.41146
• Monoisotopic Mass: 344.19607404
• SMILES: n1c(noc1CNC(=O)Cc1c(nc(nc1C)N)C)C1CCCCC1
• Canonical SMILES: O=C(Cc1c(C)nc(nc1C)N)NCc1onc(n1)C1CCCCC1
• InChI: InChI=1S/C17H24N6O2/c1-10-13(11(2)21-17(18)20-10)8-14(24)19-9-15-22-16(23-25-15)12-6-4-3-5-7-12/h12H,3-9H2,1-2H3,(H,19,24)(H2,18,20,21)
• InChIKey: VCTDEZLPGXULFY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-amino-4,6-dimethylpyrimidin-5-yl)-N-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]acetamide
• IUPAC Traditional name: 2-(2-amino-4,6-dimethylpyrimidin-5-yl)-N-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]acetamide
• Synonyms: 2-(2-amino-4,6-dimethylpyrimidin-5-yl)-N-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.399659
• H Acceptors: 6
• H Donor: 2
• LogD (pH = 5.5): 1.366728
• LogD (pH = 7.4): 1.5350498
• Log P: 1.5376993
• Molar Refractivity: 94.9605 cm^3
• Polarizability: 34.94185 Å^3
• Polar Surface Area: 119.82 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 2
• Log P: 0.87
• LOG S: -2.45
• Polar Surface Area: 119.82 Å^2
• Rotatable Bonds: 5