2-{methyl[2-methyl-5-(propan-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]amino}acetamide

• ChemBase ID: 355140
• Molecular Formular: C13H19N5O
• Molecular Mass: 261.32286
• Monoisotopic Mass: 261.15896025
• SMILES: n12c(nc(cc1N(CC(=O)N)C)C(C)C)cc(n2)C
• Canonical SMILES: NC(=O)CN(c1cc(nc2n1nc(c2)C)C(C)C)C
• InChI: InChI=1S/C13H19N5O/c1-8(2)10-6-13(17(4)7-11(14)19)18-12(15-10)5-9(3)16-18/h5-6,8H,7H2,1-4H3,(H2,14,19)
• InChIKey: CJNGCCXWZKLPQP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{methyl[2-methyl-5-(propan-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]amino}acetamide
• IUPAC Traditional name: 2-({5-isopropyl-2-methylpyrazolo[1,5-a]pyrimidin-7-yl}(methyl)amino)acetamide
• Synonyms: N~2~-(5-isopropyl-2-methylpyrazolo[1,5-a]pyrimidin-7-yl)-N~2~-methylglycinamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.755874
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.0272461
• LogD (pH = 7.4): 1.027606
• Log P: 1.0276107
• Molar Refractivity: 83.7467 cm^3
• Polarizability: 27.47823 Å^3
• Polar Surface Area: 76.52 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 0.97
• LOG S: -1.94
• Polar Surface Area: 76.52 Å^2
• Rotatable Bonds: 4