2-(2-amino-4,6-dimethylpyrimidin-5-yl)-N-[1-(3-methylpyridin-2-yl)propan-2-yl]acetamide

• ChemBase ID: 527683
• Molecular Formular: C17H23N5O
• Molecular Mass: 313.39742
• Monoisotopic Mass: 313.19026038
• SMILES: c1(c(nc(nc1C)N)C)CC(=O)NC(Cc1ncccc1C)C
• Canonical SMILES: CC(Cc1ncccc1C)NC(=O)Cc1c(C)nc(nc1C)N
• InChI: InChI=1S/C17H23N5O/c1-10-6-5-7-19-15(10)8-11(2)20-16(23)9-14-12(3)21-17(18)22-13(14)4/h5-7,11H,8-9H2,1-4H3,(H,20,23)(H2,18,21,22)
• InChIKey: OGBNFBVNHKTXDK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.147726
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 0.6716429
• LogD (pH = 7.4): 0.9675356
• Log P: 0.97209936
• Molar Refractivity: 90.6711 cm^3
• Polarizability: 34.08052 Å^3
• Polar Surface Area: 93.79 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 0.51
• LOG S: -0.62
• Polar Surface Area: 93.79 Å^2
• Rotatable Bonds: 5