2-methyl-6-(2-methylpropane-2-sulfonyl)pyrazolo[1,5-a]pyrimidin-7-amine

• ChemBase ID: 101614
• Molecular Formular: C11H16N4O2S
• Molecular Mass: 268.33534
• Monoisotopic Mass: 268.09939677
• SMILES: n12c(c(S(=O)(=O)C(C)(C)C)cnc1cc(n2)C)N
• Canonical SMILES: Cc1nn2c(c1)ncc(c2N)S(=O)(=O)C(C)(C)C
• InChI: InChI=1S/C11H16N4O2S/c1-7-5-9-13-6-8(10(12)15(9)14-7)18(16,17)11(2,3)4/h5-6H,12H2,1-4H3
• InChIKey: ODVSVKPPVBSCJX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-6-(2-methylpropane-2-sulfonyl)pyrazolo[1,5-a]pyrimidin-7-amine
• IUPAC Traditional name: 2-methyl-6-(2-methylpropane-2-sulfonyl)pyrazolo[1,5-a]pyrimidin-7-amine
• Synonyms: 6-(tert-butylsulfonyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-amine

Database IDs

• CAS Number: 519056-49-6
• MDL Number: MFCD00103403
• PubChem SID: 162088853
• PubChem CID: 2819516

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.39522305
• LogD (pH = 7.4): 0.39553964
• Log P: 0.3955437
• Molar Refractivity: 79.879 cm^3
• Polarizability: 26.849287 Å^3
• Polar Surface Area: 90.35 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%