pyrazolo[1,5-a]pyrimidin-7-amine

• ChemBase ID: 269659
• Molecular Formular: C6H6N4
• Molecular Mass: 134.13864
• Monoisotopic Mass: 134.05924621
• SMILES: n12c(nccc1N)ccn2
• Canonical SMILES: Nc1ccnc2n1ncc2
• InChI: InChI=1S/C6H6N4/c7-5-1-3-8-6-2-4-9-10(5)6/h1-4H,7H2
• InChIKey: WPFZGADUIUVTCF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD01693048
• PubChem SID: 164325569
• PubChem CID: 15379137

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.08670335
• LogD (pH = 7.4): -0.086662844
• Log P: -0.08666232
• Molar Refractivity: 47.7273 cm^3
• Polarizability: 13.534247 Å^3
• Polar Surface Area: 56.21 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 198 - 200°C
• Hydrophobicity(logP): 0.179

Product Information

• Purity: 95%