2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine

• ChemBase ID: 60251
• Molecular Formular: C8H10N4
• Molecular Mass: 162.1918
• Monoisotopic Mass: 162.09054634
• SMILES: n12c(nc(cc1N)C)cc(n2)C
• Canonical SMILES: Cc1cc(N)n2c(n1)cc(n2)C
• InChI: InChI=1S/C8H10N4/c1-5-3-7(9)12-8(10-5)4-6(2)11-12/h3-4H,9H2,1-2H3
• InChIKey: PTDZZLRAEVFJCM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine
• IUPAC Traditional name: 2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine
• Synonyms: 2,5-Dimethylpyrazolo[1,5-a]pyrimidin-7-amine

Database IDs

• CAS Number: 2369-89-3
• MDL Number: MFCD00995337
• PubChem SID: 162025992
• PubChem CID: 2768096

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.17568018
• LogD (pH = 7.4): 0.176073
• Log P: 0.176078
• Molar Refractivity: 56.9103 cm^3
• Polarizability: 17.051615 Å^3
• Polar Surface Area: 56.21 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false