6-bromoimidazo[1,2-a]pyrazin-8-amine

• ChemBase ID: 64655
• Molecular Formular: C6H5BrN4
• Molecular Mass: 213.0347
• Monoisotopic Mass: 211.96975818
• SMILES: c1(nc(c2n(c1)ccn2)N)Br
• Canonical SMILES: Brc1cn2ccnc2c(n1)N
• InChI: InChI=1S/C6H5BrN4/c7-4-3-11-2-1-9-6(11)5(8)10-4/h1-3H,(H2,8,10)
• InChIKey: PPVWNYGAZJHXFQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-bromoimidazo[1,2-a]pyrazin-8-amine
• IUPAC Traditional name: 6-bromoimidazo[1,2-a]pyrazin-8-amine
• Synonyms: 8-Amino-6-bromoimidazo[1,2-a]pyrazine; 6-Bromoimidazo[1,2-a]pyrazin-8-amine

Database IDs

• CAS Number: 117718-84-0
• MDL Number: MFCD00874115
• PubChem SID: 162030394
• PubChem CID: 3088361

CALCULATED PROPERTIES

• Acid pKa: 17.71865
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.26991937
• LogD (pH = 7.4): 0.28153273
• Log P: 0.2816832
• Molar Refractivity: 47.2584 cm^3
• Polarizability: 16.563265 Å^3
• Polar Surface Area: 56.21 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 215 - 217°C
• Hydrophobicity(logP): 1.085

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%; 95%; 95+%