5,7-dimethylpyrazolo[1,5-a]pyrimidine-2,3-diamine

• ChemBase ID: 307774
• Molecular Formular: C8H11N5
• Molecular Mass: 177.20644
• Monoisotopic Mass: 177.10144538
• SMILES: c12n(nc(c1N)N)c(cc(n2)C)C
• Canonical SMILES: Cc1cc(C)n2c(n1)c(N)c(n2)N
• InChI: InChI=1S/C8H11N5/c1-4-3-5(2)13-8(11-4)6(9)7(10)12-13/h3H,9H2,1-2H3,(H2,10,12)
• InChIKey: UWPZIUVTJBGBCD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5,7-dimethylpyrazolo[1,5-a]pyrimidine-2,3-diamine
• IUPAC Traditional name: 5,7-dimethylpyrazolo[1,5-a]pyrimidine-2,3-diamine
• Synonyms: 5,7-dimethylpyrazolo[1,5-a]pyrimidine-2,3-diamine

Database IDs

• CAS Number: 200884-04-4
• MDL Number: MFCD00542218

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.080138184
• LogD (pH = 7.4): -0.079498425
• Log P: -0.07949027
• Molar Refractivity: 63.2291 cm^3
• Polarizability: 18.188631 Å^3
• Polar Surface Area: 82.23 Å^2