5-bromo-N-cyclopropylpyrimidin-2-amine

• ChemBase ID: 812608
• Molecular Formular: C7H8BrN3
• Molecular Mass: 214.06252
• Monoisotopic Mass: 212.99015927
• SMILES: c1(cnc(nc1)NC1CC1)Br
• Canonical SMILES: Brc1cnc(nc1)NC1CC1
• InChI: InChI=1S/C7H8BrN3/c8-5-3-9-7(10-4-5)11-6-1-2-6/h3-4,6H,1-2H2,(H,9,10,11)
• InChIKey: ILLUUYCRRPSCTH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-bromo-N-cyclopropylpyrimidin-2-amine
• IUPAC Traditional name: 5-bromo-N-cyclopropylpyrimidin-2-amine
• Synonyms: 5-BROMO-N-CYCLOPROPYLPYRIMIDIN-2-AMINE

Database IDs

• CAS Number: 886366-20-7

CALCULATED PROPERTIES

• Acid pKa: 15.136131
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.4353256
• LogD (pH = 7.4): 1.435613
• Log P: 1.4356167
• Molar Refractivity: 47.6961 cm^3
• Polarizability: 17.388115 Å^3
• Polar Surface Area: 37.81 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%