2-{imidazo[1,2-a]pyrimidin-2-yl}ethan-1-amine hydrobromide

• ChemBase ID: 240109
• Molecular Formular: C8H11BrN4
• Molecular Mass: 243.10374
• Monoisotopic Mass: 242.01670837
• SMILES: c12n(cc(n1)CCN)cccn2.Br
• Canonical SMILES: NCCc1cn2c(n1)nccc2.Br
• InChI: InChI=1S/C8H10N4.BrH/c9-3-2-7-6-12-5-1-4-10-8(12)11-7;/h1,4-6H,2-3,9H2;1H
• InChIKey: UXTAXDTVWWNUSA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD22378786
• PubChem SID: 164296019
• PubChem CID: 71756465

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.742478
• LogD (pH = 7.4): -2.8440387
• Log P: -0.748452
• Molar Refractivity: 47.4402 cm^3
• Polarizability: 17.537487 Å^3
• Polar Surface Area: 56.21 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.642

Product Information

• Purity: 95%