8-bromoquinazolin-4-amine

• ChemBase ID: 290101
• Molecular Formular: C8H6BrN3
• Molecular Mass: 224.05734
• Monoisotopic Mass: 222.97450921
• SMILES: Nc1c2cccc(Br)c2ncn1
• Canonical SMILES: Brc1cccc2c1ncnc2N
• InChI: InChI=1S/C8H6BrN3/c9-6-3-1-2-5-7(6)11-4-12-8(5)10/h1-4H,(H2,10,11,12)
• InChIKey: FOIJNKOSXGBMCY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-bromoquinazolin-4-amine
• IUPAC Traditional name: 8-bromoquinazolin-4-amine
• Synonyms: 8-Bromoquinazolin-4-amine

Database IDs

• CAS Number: 1260657-19-9
• MDL Number: MFCD09027697
• PubChem SID: 180675632
• PubChem CID: 66570684

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.9530894
• LogD (pH = 7.4): 1.9592674
• Log P: 1.9593468
• Molar Refractivity: 51.4372 cm^3
• Polarizability: 19.92877 Å^3
• Polar Surface Area: 51.8 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%