6-(benzyloxy)-2-methylquinazolin-4-amine

• ChemBase ID: 61620
• Molecular Formular: C16H15N3O
• Molecular Mass: 265.3098
• Monoisotopic Mass: 265.12151212
• SMILES: n1c(nc(c2cc(ccc12)OCc1ccccc1)N)C
• Canonical SMILES: Cc1nc(N)c2c(n1)ccc(c2)OCc1ccccc1
• InChI: InChI=1S/C16H15N3O/c1-11-18-15-8-7-13(9-14(15)16(17)19-11)20-10-12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H2,17,18,19)
• InChIKey: OQINFSCVJQFSEM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(benzyloxy)-2-methylquinazolin-4-amine
• IUPAC Traditional name: 6-(benzyloxy)-2-methylquinazolin-4-amine
• Synonyms: 6-(Benzyloxy)-2-methylquinazolin-4-amine

Database IDs

• MDL Number: MFCD19982834
• PubChem SID: 162027361
• PubChem CID: 56773847

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.6808953
• LogD (pH = 7.4): 3.2999454
• Log P: 3.3181248
• Molar Refractivity: 79.5146 cm^3
• Polarizability: 31.088545 Å^3
• Polar Surface Area: 61.03 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >98%