4-cyclopropylpyrimidin-2-amine

• ChemBase ID: 42439
• Molecular Formular: C7H9N3
• Molecular Mass: 135.16646
• Monoisotopic Mass: 135.0796473
• SMILES: n1c(nccc1C1CC1)N
• Canonical SMILES: Nc1nccc(n1)C1CC1
• InChI: InChI=1S/C7H9N3/c8-7-9-4-3-6(10-7)5-1-2-5/h3-5H,1-2H2,(H2,8,9,10)
• InChIKey: WSRWIOBLJDEDRM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-cyclopropylpyrimidin-2-amine
• IUPAC Traditional name: 4-cyclopropylpyrimidin-2-amine
• Synonyms: 4-Cyclopropyl-2-pyrimidinamine

Database IDs

• CAS Number: 21573-15-9
• MDL Number: MFCD03787899
• PubChem SID: 162047202
• PubChem CID: 3299593

CALCULATED PROPERTIES

• Acid pKa: 16.758425
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.7886814
• LogD (pH = 7.4): 0.8104764
• Log P: 0.8107619
• Molar Refractivity: 39.3594 cm^3
• Polarizability: 14.396621 Å^3
• Polar Surface Area: 51.8 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 133 - 135 °C; 133-135°C

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%