2-{7-methylimidazo[1,2-a]pyrimidin-2-yl}acetamide

• ChemBase ID: 240094
• Molecular Formular: C9H10N4O
• Molecular Mass: 190.2019
• Monoisotopic Mass: 190.08546096
• SMILES: c12n(cc(n1)CC(=O)N)ccc(n2)C
• Canonical SMILES: Cc1ccn2c(n1)nc(c2)CC(=O)N
• InChI: InChI=1S/C9H10N4O/c1-6-2-3-13-5-7(4-8(10)14)12-9(13)11-6/h2-3,5H,4H2,1H3,(H2,10,14)
• InChIKey: ROVAQDNXTYSFEY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{7-methylimidazo[1,2-a]pyrimidin-2-yl}acetamide
• IUPAC Traditional name: 2-{7-methylimidazo[1,2-a]pyrimidin-2-yl}acetamide
• Synonyms: 2-{7-methylimidazo[1,2-a]pyrimidin-2-yl}acetamide

Database IDs

• MDL Number: MFCD11226454
• PubChem SID: 164296004
• PubChem CID: 46741309

CALCULATED PROPERTIES

• Acid pKa: 15.75573
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.84653044
• LogD (pH = 7.4): -0.8447023
• Log P: -0.84467894
• Molar Refractivity: 52.1389 cm^3
• Polarizability: 19.088634 Å^3
• Polar Surface Area: 73.28 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.892

Product Information

• Purity: 95%