2-(4-fluorophenyl)imidazo[1,2-a]pyrimidin-3-amine

• ChemBase ID: 114044
• Molecular Formular: C12H9FN4
• Molecular Mass: 228.2250632
• Monoisotopic Mass: 228.08112453
• SMILES: n12c(nc(c1N)c1ccc(cc1)F)nccc2
• Canonical SMILES: Fc1ccc(cc1)c1nc2n(c1N)cccn2
• InChI: InChI=1S/C12H9FN4/c13-9-4-2-8(3-5-9)10-11(14)17-7-1-6-15-12(17)16-10/h1-7H,14H2
• InChIKey: ZYFLPSDJBVAMNC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-fluorophenyl)imidazo[1,2-a]pyrimidin-3-amine
• IUPAC Traditional name: 2-(4-fluorophenyl)imidazo[1,2-a]pyrimidin-3-amine
• Synonyms: 2-(4-fluorophenyl)imidazo[1,2-a]pyrimidin-3-amine

Database IDs

• MDL Number: MFCD21091629
• PubChem SID: 162099429
• PubChem CID: 52903484

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.2287269
• LogD (pH = 7.4): 1.243249
• Log P: 1.2434375
• Molar Refractivity: 63.7239 cm^3
• Polarizability: 24.131824 Å^3
• Polar Surface Area: 56.21 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 1.92

Product Information

• Purity: 95%