7-methyl-1H,2H,3H,5H-imidazolidino[1,2-a]pyrimidin-5-one

• ChemBase ID: 246369
• Molecular Formular: C7H9N3O
• Molecular Mass: 151.16586
• Monoisotopic Mass: 151.07456192
• SMILES: n12c(nc(cc1=O)C)NCC2
• Canonical SMILES: Cc1cc(=O)n2c(n1)NCC2
• InChI: InChI=1S/C7H9N3O/c1-5-4-6(11)10-3-2-8-7(10)9-5/h4H,2-3H2,1H3,(H,8,9)
• InChIKey: BUHCXGHKCRSVHM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-methyl-1H,2H,3H,5H-imidazolidino[1,2-a]pyrimidin-5-one
• IUPAC Traditional name: 7-methyl-1H,2H,3H-imidazolidino[1,2-a]pyrimidin-5-one
• Synonyms: 7-methyl-1H,2H,3H,5H-imidazolidino[1,2-a]pyrimidin-5-one

Database IDs

• MDL Number: MFCD20661525
• PubChem SID: 164302279
• PubChem CID: 5488052

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.29271066
• LogD (pH = 7.4): -0.25414428
• Log P: -0.2536296
• Molar Refractivity: 41.6699 cm^3
• Polarizability: 15.030313 Å^3
• Polar Surface Area: 44.7 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 159 - 161°C
• Hydrophobicity(logP): 0.106

Product Information

• Purity: 95%