{7-methylimidazo[1,2-a]pyrimidin-2-yl}methanamine dihydrobromide

• ChemBase ID: 243670
• Molecular Formular: C8H12Br2N4
• Molecular Mass: 324.01568
• Monoisotopic Mass: 321.9428704
• SMILES: c12n(cc(n1)CN)ccc(n2)C.Br.Br
• Canonical SMILES: NCc1cn2c(n1)nc(cc2)C.Br.Br
• InChI: InChI=1S/C8H10N4.2BrH/c1-6-2-3-12-5-7(4-9)11-8(12)10-6;;/h2-3,5H,4,9H2,1H3;2*1H
• InChIKey: DFDMOHFYJOSVNR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {7-methylimidazo[1,2-a]pyrimidin-2-yl}methanamine dihydrobromide
• IUPAC Traditional name: {7-methylimidazo[1,2-a]pyrimidin-2-yl}methanamine dihydrobromide
• Synonyms: {7-methylimidazo[1,2-a]pyrimidin-2-yl}methanamine dihydrobromide

Database IDs

• MDL Number: MFCD22578729
• PubChem SID: 164299580
• PubChem CID: 71757313

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.5918982
• LogD (pH = 7.4): -2.0224462
• Log P: -0.8540946
• Molar Refractivity: 47.3323 cm^3
• Polarizability: 17.533916 Å^3
• Polar Surface Area: 56.21 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 249 - 251°C
• Hydrophobicity(logP): -0.252

Product Information

• Purity: 95%