2-(pyrimidin-2-yl)acetamide

• ChemBase ID: 293285
• Molecular Formular: C6H7N3O
• Molecular Mass: 137.13928
• Monoisotopic Mass: 137.05891186
• SMILES: O=C(N)Cc1ncccn1
• Canonical SMILES: NC(=O)Cc1ncccn1
• InChI: InChI=1S/C6H7N3O/c7-5(10)4-6-8-2-1-3-9-6/h1-3H,4H2,(H2,7,10)
• InChIKey: QKYYCHBWOLRIJJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(pyrimidin-2-yl)acetamide
• IUPAC Traditional name: 2-(pyrimidin-2-yl)acetamide
• Synonyms: 2-(Pyrimidin-2-yl)acetamide

Database IDs

• CAS Number: 1220039-43-9
• MDL Number: MFCD15475001
• PubChem SID: 180678816
• PubChem CID: 53407661

CALCULATED PROPERTIES

• Acid pKa: 15.048267
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.40474004
• LogD (pH = 7.4): -0.40473166
• Log P: -0.40473154
• Molar Refractivity: 35.513 cm^3
• Polarizability: 13.461291 Å^3
• Polar Surface Area: 68.87 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%