6-amino-1,4-dimethyl-1,2-dihydropyridin-2-one

• ChemBase ID: 250028
• Molecular Formular: C7H10N2O
• Molecular Mass: 138.1671
• Monoisotopic Mass: 138.07931295
• SMILES: n1(c(cc(cc1=O)C)N)C
• Canonical SMILES: Cc1cc(N)n(c(=O)c1)C
• InChI: InChI=1S/C7H10N2O/c1-5-3-6(8)9(2)7(10)4-5/h3-4H,8H2,1-2H3
• InChIKey: UQMBLTAZMKCHJY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-amino-1,4-dimethyl-1,2-dihydropyridin-2-one
• IUPAC Traditional name: 6-amino-1,4-dimethylpyridin-2-one
• Synonyms: 6-amino-1,4-dimethylpyridin-2(1H)-one

Database IDs

• MDL Number: MFCD07339042
• PubChem SID: 164305938
• PubChem CID: 4962881

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.053364567
• LogD (pH = 7.4): -0.017773293
• Log P: -0.017300105
• Molar Refractivity: 50.16 cm^3
• Polarizability: 14.759058 Å^3
• Polar Surface Area: 46.33 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 129 - 131°C
• Hydrophobicity(logP): -0.314

Product Information

• Purity: 95%