ethyl 7-methylimidazo[1,2-a]pyrimidine-2-carboxylate

• ChemBase ID: 240131
• Molecular Formular: C10H11N3O2
• Molecular Mass: 205.21324
• Monoisotopic Mass: 205.08512661
• SMILES: c12nc(cn1ccc(n2)C)C(=O)OCC
• Canonical SMILES: CCOC(=O)c1cn2c(n1)nc(cc2)C
• InChI: InChI=1S/C10H11N3O2/c1-3-15-9(14)8-6-13-5-4-7(2)11-10(13)12-8/h4-6H,3H2,1-2H3
• InChIKey: NUSHNKXJMTVGIT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 7-methylimidazo[1,2-a]pyrimidine-2-carboxylate
• IUPAC Traditional name: ethyl 7-methylimidazo[1,2-a]pyrimidine-2-carboxylate
• Synonyms: ethyl 7-methylimidazo[1,2-a]pyrimidine-2-carboxylate

Database IDs

• MDL Number: MFCD22378790
• PubChem SID: 164296041
• PubChem CID: 71756470

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.48443913
• LogD (pH = 7.4): 0.48479578
• Log P: 0.4848003
• Molar Refractivity: 55.783 cm^3
• Polarizability: 20.481676 Å^3
• Polar Surface Area: 56.49 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.933

Product Information

• Purity: 95%