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

• ChemBase ID: 114042
• Molecular Formular: C13H12N4O
• Molecular Mass: 240.26058
• Monoisotopic Mass: 240.10111102
• SMILES: n12c(nc(c1N)c1ccc(cc1)OC)nccc2
• Canonical SMILES: COc1ccc(cc1)c1nc2n(c1N)cccn2
• InChI: InChI=1S/C13H12N4O/c1-18-10-5-3-9(4-6-10)11-12(14)17-8-2-7-15-13(17)16-11/h2-8H,14H2,1H3
• InChIKey: RSJSRQQGXJRHAQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD21091628
• PubChem SID: 162098952
• PubChem CID: 15179741

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.92815393
• LogD (pH = 7.4): 0.94287336
• Log P: 0.9430644
• Molar Refractivity: 69.9707 cm^3
• Polarizability: 27.007051 Å^3
• Polar Surface Area: 65.44 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 1.723

Product Information

• Purity: 95%