5-methyl-N-[2-(1-methyl-1H-1,3-benzodiazol-2-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine

• ChemBase ID: 719552
• Molecular Formular: C17H18N6
• Molecular Mass: 306.36502
• Monoisotopic Mass: 306.15929461
• SMILES: n12c(nc(cc1NCCc1nc3c(n1C)cccc3)C)ccn2
• Canonical SMILES: Cc1cc(NCCc2nc3c(n2C)cccc3)n2c(n1)ccn2
• InChI: InChI=1S/C17H18N6/c1-12-11-17(23-16(20-12)8-10-19-23)18-9-7-15-21-13-5-3-4-6-14(13)22(15)2/h3-6,8,10-11,18H,7,9H2,1-2H3
• InChIKey: RJVCADNTZNROGO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-methyl-N-[2-(1-methyl-1H-1,3-benzodiazol-2-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine
• IUPAC Traditional name: 5-methyl-N-[2-(1-methyl-1,3-benzodiazol-2-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine
• Synonyms: 5-methyl-N-[2-(1-methyl-1H-benzimidazol-2-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine

CALCULATED PROPERTIES

JChem

• Rotatable Bonds: 4
• Lipinski's Rule of Five: true
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.3684733
• LogD (pH = 7.4): 1.8772384
• Log P: 1.8909985
• Molar Refractivity: 100.2584 cm^3
• Polarizability: 34.56544 Å^3
• Polar Surface Area: 60.04 Å^2

供应商提供(Chembridge)

• Rotatable Bonds: 4
• H Acceptors: 3
• H Donor: 1
• Log P: 2.9
• LOG S: -5.02
• Polar Surface Area: 60.04 Å^2