2-(thiophen-2-yl)imidazo[1,2-a]pyrimidin-3-amine

• ChemBase ID: 114268
• Molecular Formular: C10H8N4S
• Molecular Mass: 216.26232
• Monoisotopic Mass: 216.04696728
• SMILES: c1(c(n2c(n1)nccc2)N)c1sccc1
• Canonical SMILES: Nc1c(nc2n1cccn2)c1cccs1
• InChI: InChI=1S/C10H8N4S/c11-9-8(7-3-1-6-15-7)13-10-12-4-2-5-14(9)10/h1-6H,11H2
• InChIKey: ILBJBKAVDGYVEI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(thiophen-2-yl)imidazo[1,2-a]pyrimidin-3-amine
• IUPAC Traditional name: 2-(thiophen-2-yl)imidazo[1,2-a]pyrimidin-3-amine
• Synonyms: 2-(2-thienyl)imidazo[1,2-a]pyrimidin-3-amine

Database IDs

• MDL Number: MFCD07371405
• PubChem SID: 162099145
• PubChem CID: 16740862

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.8697059
• LogD (pH = 7.4): 0.8777797
• Log P: 0.8778837
• Molar Refractivity: 60.3974 cm^3
• Polarizability: 23.15021 Å^3
• Polar Surface Area: 56.21 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 0.947

Product Information

• Purity: 95%