pyrazolo[1,5-a]pyrimidin-3-amine

• ChemBase ID: 68400
• Molecular Formular: C6H6N4
• Molecular Mass: 134.13864
• Monoisotopic Mass: 134.05924621
• SMILES: c12ncccn1ncc2N
• Canonical SMILES: Nc1cnn2c1nccc2
• InChI: InChI=1S/C6H6N4/c7-5-4-9-10-3-1-2-8-6(5)10/h1-4H,7H2
• InChIKey: QRSZMEQQBAGKPH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: pyrazolo[1,5-a]pyrimidin-3-amine
• IUPAC Traditional name: pyrazolo[1,5-a]pyrimidin-3-amine
• Synonyms: Pyrazolo[1,5-a]pyrimidin-3-amine; 3-Aminopyrazolo[1,5-a]pyrimidine

Database IDs

• CAS Number: 232600-93-0
• MDL Number: MFCD00501923
• PubChem SID: 162034131
• PubChem CID: 21192071

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.1759597
• LogD (pH = 7.4): -0.17595342
• Log P: -0.17595333
• Molar Refractivity: 48.474 cm^3
• Polarizability: 13.526869 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

Product Information

• Purity: 95+%