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

• ChemBase ID: 243305
• Molecular Formular: C9H14Br2N4
• Molecular Mass: 338.04226
• Monoisotopic Mass: 335.95852047
• SMILES: c12n(cc(n1)CCN)ccc(n2)C.Br.Br
• Canonical SMILES: NCCc1nc2n(c1)ccc(n2)C.Br.Br
• InChI: InChI=1S/C9H12N4.2BrH/c1-7-3-5-13-6-8(2-4-10)12-9(13)11-7;;/h3,5-6H,2,4,10H2,1H3;2*1H
• InChIKey: QYPUVNRBOQYXRQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD22578642
• PubChem SID: 164299215
• PubChem CID: 71757220

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.6113389
• LogD (pH = 7.4): -2.712968
• Log P: -0.6170819
• Molar Refractivity: 52.0317 cm^3
• Polarizability: 19.301046 Å^3
• Polar Surface Area: 56.21 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.143

Product Information

• Purity: 95%