3-amino-5,6-dimethyl-1,2-dihydropyridin-2-one

• ChemBase ID: 309463
• Molecular Formular: C7H10N2O
• Molecular Mass: 138.1671
• Monoisotopic Mass: 138.07931295
• SMILES: [nH]1c(=O)c(cc(c1C)C)N
• Canonical SMILES: Cc1[nH]c(=O)c(cc1C)N
• InChI: InChI=1S/C7H10N2O/c1-4-3-6(8)7(10)9-5(4)2/h3H,8H2,1-2H3,(H,9,10)
• InChIKey: WDEQCYHQWHIIFZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-amino-5,6-dimethyl-1,2-dihydropyridin-2-one
• IUPAC Traditional name: 3-amino-5,6-dimethyl-1H-pyridin-2-one
• Synonyms: 3-amino-5,6-dimethyl-2(1H)-pyridinone

Database IDs

• CAS Number: 139549-03-4
• MDL Number: MFCD16556149

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -0.42171627
• LogD (pH = 7.4): -0.42173594
• Log P: -0.4217094
• Molar Refractivity: 41.7713 cm^3
• Polarizability: 14.759058 Å^3
• Polar Surface Area: 55.12 Å^2