3-methyl-1,5-naphthyridin-2-amine

• ChemBase ID: 114000
• Molecular Formular: C9H9N3
• Molecular Mass: 159.18786
• Monoisotopic Mass: 159.0796473
• SMILES: n1c(c(cc2c1cccn2)C)N
• Canonical SMILES: Cc1cc2ncccc2nc1N
• InChI: InChI=1S/C9H9N3/c1-6-5-8-7(12-9(6)10)3-2-4-11-8/h2-5H,1H3,(H2,10,12)
• InChIKey: QRLYUZQZBLJANT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-methyl-1,5-naphthyridin-2-amine
• IUPAC Traditional name: 3-methyl-1,5-naphthyridin-2-amine
• Synonyms: 3-Methyl-1,5-naphthyridin-2-amine

Database IDs

• MDL Number: MFCD11518852
• PubChem SID: 162099159
• PubChem CID: 30484461

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.4695076
• LogD (pH = 7.4): 1.5764757
• Log P: 1.5780313
• Molar Refractivity: 47.5055 cm^3
• Polarizability: 18.976408 Å^3
• Polar Surface Area: 51.8 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 1.34953

Product Information

• Purity: 95+%