6-methylquinazolin-2-amine

• ChemBase ID: 812825
• Molecular Formular: C9H9N3
• Molecular Mass: 159.18786
• Monoisotopic Mass: 159.0796473
• SMILES: c1(ccc2nc(ncc2c1)N)C
• Canonical SMILES: Cc1ccc2c(c1)cnc(n2)N
• InChI: InChI=1S/C9H9N3/c1-6-2-3-8-7(4-6)5-11-9(10)12-8/h2-5H,1H3,(H2,10,11,12)
• InChIKey: SNBAZGAHVJGFDT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methylquinazolin-2-amine
• IUPAC Traditional name: 6-methylquinazolin-2-amine
• Synonyms: 2-AMINO-6-METHYLQUINAZOLINE

Database IDs

• CAS Number: 1687-52-1

CALCULATED PROPERTIES

• Acid pKa: 17.290932
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.7658049
• LogD (pH = 7.4): 1.7880523
• Log P: 1.788344
• Molar Refractivity: 48.4881 cm^3
• Polarizability: 18.981575 Å^3
• Polar Surface Area: 51.8 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%