3,6-dimethylpyrazolo[1,5-a]pyrimidin-7-amine

• ChemBase ID: 237862
• Molecular Formular: C8H10N4
• Molecular Mass: 162.1918
• Monoisotopic Mass: 162.09054634
• SMILES: n12c(ncc(c1N)C)c(cn2)C
• Canonical SMILES: Nc1c(C)cnc2n1ncc2C
• InChI: InChI=1S/C8H10N4/c1-5-3-10-8-6(2)4-11-12(8)7(5)9/h3-4H,9H2,1-2H3
• InChIKey: GJYPOUWCAHWNAL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,6-dimethylpyrazolo[1,5-a]pyrimidin-7-amine
• IUPAC Traditional name: 3,6-dimethylpyrazolo[1,5-a]pyrimidin-7-amine
• Synonyms: 3,6-dimethylpyrazolo[1,5-a]pyrimidin-7-amine

Database IDs

• MDL Number: MFCD01693052
• PubChem SID: 164293772
• PubChem CID: 12847959

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.94014573
• LogD (pH = 7.4): 0.94018
• Log P: 0.9401805
• Molar Refractivity: 57.8097 cm^3
• Polarizability: 17.050608 Å^3
• Polar Surface Area: 56.21 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 239 - 241°C
• Hydrophobicity(logP): 0.897

Product Information

• Purity: 95%