4-(5-bromo-6-methylpyrazin-2-yl)morpholine

• ChemBase ID: 801532
• Molecular Formular: C9H12BrN3O
• Molecular Mass: 258.11508
• Monoisotopic Mass: 257.01637402
• SMILES: C1COCCN1c1cnc(c(n1)C)Br
• Canonical SMILES: Cc1nc(cnc1Br)N1CCOCC1
• InChI: InChI=1S/C9H12BrN3O/c1-7-9(10)11-6-8(12-7)13-2-4-14-5-3-13/h6H,2-5H2,1H3
• InChIKey: QNSGUCKBTPVDSE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(5-bromo-6-methylpyrazin-2-yl)morpholine
• IUPAC Traditional name: 4-(5-bromo-6-methylpyrazin-2-yl)morpholine
• Synonyms: 4-(5-BROMO-6-METHYLPYRAZIN-2-YL)MORPHOLINE

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.1274709
• LogD (pH = 7.4): 1.1275457
• Log P: 1.1275467
• Molar Refractivity: 58.6173 cm^3
• Polarizability: 21.748455 Å^3
• Polar Surface Area: 38.25 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%