5,6,7-trimethyl-1,8-naphthyridin-2-amine

• ChemBase ID: 252276
• Molecular Formular: C11H13N3
• Molecular Mass: 187.24102
• Monoisotopic Mass: 187.11094743
• SMILES: c12nc(c(c(c2ccc(n1)N)C)C)C
• Canonical SMILES: Nc1ccc2c(n1)nc(c(c2C)C)C
• InChI: InChI=1S/C11H13N3/c1-6-7(2)9-4-5-10(12)14-11(9)13-8(6)3/h4-5H,1-3H3,(H2,12,13,14)
• InChIKey: ZZZNDZVOGHOUET-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5,6,7-trimethyl-1,8-naphthyridin-2-amine
• IUPAC Traditional name: 5,6,7-trimethyl-1,8-naphthyridin-2-amine
• Synonyms: 5,6,7-trimethyl-1,8-naphthyridin-2-amine

Database IDs

• CAS Number: 69587-84-4
• MDL Number: MFCD08262809
• PubChem SID: 164308186
• PubChem CID: 9504004

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.1619484
• LogD (pH = 7.4): 2.1619768
• Log P: 2.161977
• Molar Refractivity: 59.083 cm^3
• Polarizability: 21.811304 Å^3
• Polar Surface Area: 51.8 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.85

Product Information

• Purity: 95%