5-bromo-N-cyclohexylpyrimidin-2-amine

• ChemBase ID: 812607
• Molecular Formular: C10H14BrN3
• Molecular Mass: 256.14226
• Monoisotopic Mass: 255.03710946
• SMILES: c1(cnc(nc1)NC1CCCCC1)Br
• Canonical SMILES: Brc1cnc(nc1)NC1CCCCC1
• InChI: InChI=1S/C10H14BrN3/c11-8-6-12-10(13-7-8)14-9-4-2-1-3-5-9/h6-7,9H,1-5H2,(H,12,13,14)
• InChIKey: QRGGKWPYPCIJAD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-bromo-N-cyclohexylpyrimidin-2-amine
• IUPAC Traditional name: 5-bromo-N-cyclohexylpyrimidin-2-amine
• Synonyms: 5-BROMO-N-CYCLOHEXYLPYRIMIDIN-2-AMINE

Database IDs

• CAS Number: 886366-17-2

CALCULATED PROPERTIES

• Acid pKa: 15.141093
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.7690315
• LogD (pH = 7.4): 2.769319
• Log P: 2.7693229
• Molar Refractivity: 61.4991 cm^3
• Polarizability: 22.817743 Å^3
• Polar Surface Area: 37.81 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%