N-methyl-1,6-naphthyridin-4-amine

• ChemBase ID: 286101
• Molecular Formular: C9H9N3
• Molecular Mass: 159.18786
• Monoisotopic Mass: 159.0796473
• SMILES: c12c(NC)ccnc1ccnc2
• Canonical SMILES: CNc1ccnc2c1cncc2
• InChI: InChI=1S/C9H9N3/c1-10-8-3-5-12-9-2-4-11-6-7(8)9/h2-6H,1H3,(H,10,12)
• InChIKey: LWYHQMKPGHIDIQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-1,6-naphthyridin-4-amine
• IUPAC Traditional name: N-methyl-1,6-naphthyridin-4-amine
• Synonyms: N-methyl-1,6-naphthyridin-4-amine

Database IDs

• MDL Number: MFCD21602709
• PubChem SID: 180671632
• PubChem CID: 73994806

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.26114902
• LogD (pH = 7.4): 0.36413842
• Log P: 0.38600618
• Molar Refractivity: 48.0162 cm^3
• Polarizability: 19.054241 Å^3
• Polar Surface Area: 37.81 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 223 - 225°C
• Hydrophobicity(logP): 1.663

Product Information

• Purity: 95%