N-(2,2-difluoroethyl)-2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-amine

• ChemBase ID: 403186
• Molecular Formular: C11H14F2N4
• Molecular Mass: 240.2524664
• Monoisotopic Mass: 240.11865291
• SMILES: n12c(c(c(n1)C)C)nc(cc2NCC(F)F)C
• Canonical SMILES: FC(CNc1cc(C)nc2n1nc(c2C)C)F
• InChI: InChI=1S/C11H14F2N4/c1-6-4-10(14-5-9(12)13)17-11(15-6)7(2)8(3)16-17/h4,9,14H,5H2,1-3H3
• InChIKey: KHOZLGXYVHBRGU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2,2-difluoroethyl)-2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-amine
• IUPAC Traditional name: N-(2,2-difluoroethyl)-2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-amine
• Synonyms: N-(2,2-difluoroethyl)-2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.4572134
• LogD (pH = 7.4): 1.4575351
• Log P: 1.4575392
• Molar Refractivity: 72.0053 cm^3
• Polarizability: 22.020262 Å^3
• Polar Surface Area: 42.22 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 2.16
• LOG S: -2.8
• Polar Surface Area: 42.22 Å^2
• Rotatable Bonds: 3