2-phenylimidazo[1,2-a]pyrimidin-3-amine

• ChemBase ID: 114043
• Molecular Formular: C12H10N4
• Molecular Mass: 210.2346
• Monoisotopic Mass: 210.09054634
• SMILES: n12c(nc(c1N)c1ccccc1)nccc2
• Canonical SMILES: Nc1c(nc2n1cccn2)c1ccccc1
• InChI: InChI=1S/C12H10N4/c13-11-10(9-5-2-1-3-6-9)15-12-14-7-4-8-16(11)12/h1-8H,13H2
• InChIKey: FOJZDMGNAKIZQC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-phenylimidazo[1,2-a]pyrimidin-3-amine
• IUPAC Traditional name: 2-phenylimidazo[1,2-a]pyrimidin-3-amine
• Synonyms: 2-phenylimidazo[1,2-a]pyrimidin-3-amine

Database IDs

• MDL Number: MFCD07021267
• PubChem SID: 162099350
• PubChem CID: 16740829

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.0861633
• LogD (pH = 7.4): 1.100549
• Log P: 1.1007357
• Molar Refractivity: 63.5075 cm^3
• Polarizability: 24.516317 Å^3
• Polar Surface Area: 56.21 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 1.767

Product Information

• Purity: 95%