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

• ChemBase ID: 307001
• Molecular Formular: C8H10N4
• Molecular Mass: 162.1918
• Monoisotopic Mass: 162.09054634
• SMILES: c12n(cc(n1)CCN)cccn2
• Canonical SMILES: NCCc1cn2c(n1)nccc2
• InChI: InChI=1S/C8H10N4/c9-3-2-7-6-12-5-1-4-10-8(12)11-7/h1,4-6H,2-3,9H2
• InChIKey: AQDOETBQHPTIFT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 936940-74-8
• MDL Number: MFCD09884506

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.7424552
• LogD (pH = 7.4): -2.8440385
• Log P: -0.748452
• Molar Refractivity: 47.4402 cm^3
• Polarizability: 17.537487 Å^3
• Polar Surface Area: 56.21 Å^2