4-aminoquinazolin-2-ol

• ChemBase ID: 291996
• Molecular Formular: C8H7N3O
• Molecular Mass: 161.16068
• Monoisotopic Mass: 161.05891186
• SMILES: Oc1nc(N)c2ccccc2n1
• Canonical SMILES: Oc1nc2ccccc2c(n1)N
• InChI: InChI=1S/C8H7N3O/c9-7-5-3-1-2-4-6(5)10-8(12)11-7/h1-4H,(H3,9,10,11,12)
• InChIKey: NXBWFXMEJVOABP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-aminoquinazolin-2-ol
• IUPAC Traditional name: 4-aminoquinazolin-2-ol
• Synonyms: 4-Aminoquinazolin-2-ol

Database IDs

• CAS Number: 50440-88-5
• MDL Number: MFCD08236271
• PubChem SID: 180677527
• PubChem CID: 11958943

CALCULATED PROPERTIES

• Acid pKa: 13.487225
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.5653515
• LogD (pH = 7.4): 1.5658087
• Log P: 1.5658149
• Molar Refractivity: 45.7413 cm^3
• Polarizability: 17.793076 Å^3
• Polar Surface Area: 72.03 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%