2-[4-(2-amino-6-methoxypyrimidin-4-yl)-1H-pyrazol-1-yl]-N-(1-methyl-1H-pyrazol-5-yl)acetamide

• ChemBase ID: 744047
• Molecular Formular: C14H16N8O2
• Molecular Mass: 328.32924
• Monoisotopic Mass: 328.13962179
• SMILES: c1(c2nc(nc(c2)OC)N)cn(nc1)CC(=O)Nc1n(ncc1)C
• Canonical SMILES: COc1nc(N)nc(c1)c1cnn(c1)CC(=O)Nc1ccnn1C
• InChI: InChI=1S/C14H16N8O2/c1-21-11(3-4-16-21)19-12(23)8-22-7-9(6-17-22)10-5-13(24-2)20-14(15)18-10/h3-7H,8H2,1-2H3,(H,19,23)(H2,15,18,20)
• InChIKey: ZFDAXMTVANZHDY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[4-(2-amino-6-methoxypyrimidin-4-yl)-1H-pyrazol-1-yl]-N-(1-methyl-1H-pyrazol-5-yl)acetamide
• IUPAC Traditional name: 2-[4-(2-amino-6-methoxypyrimidin-4-yl)pyrazol-1-yl]-N-(2-methylpyrazol-3-yl)acetamide
• Synonyms: 2-[4-(2-amino-6-methoxypyrimidin-4-yl)-1H-pyrazol-1-yl]-N-(1-methyl-1H-pyrazol-5-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.076717
• H Acceptors: 7
• H Donor: 2
• LogD (pH = 5.5): 0.21715535
• LogD (pH = 7.4): 0.22663076
• Log P: 0.2267538
• Molar Refractivity: 110.3316 cm^3
• Polarizability: 33.053337 Å^3
• Polar Surface Area: 125.77 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: 0.52
• LOG S: -2.04
• Polar Surface Area: 125.77 Å^2
• Rotatable Bonds: 5