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

• ChemBase ID: 309833
• Molecular Formular: C9H12N4
• Molecular Mass: 176.21838
• Monoisotopic Mass: 176.1061964
• SMILES: c12nc(cn1cccn2)C(N)CC
• Canonical SMILES: CCC(c1cn2c(n1)nccc2)N
• InChI: InChI=1S/C9H12N4/c1-2-7(10)8-6-13-5-3-4-11-9(13)12-8/h3-7H,2,10H2,1H3
• InChIKey: GJYAXYDFQMNIFZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD19982763

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.7518022
• LogD (pH = 7.4): -1.3342948
• Log P: 0.10582186
• Molar Refractivity: 51.7587 cm^3
• Polarizability: 19.451992 Å^3
• Polar Surface Area: 56.21 Å^2