6-amino-5,6,7,8-tetrahydroquinazolin-2-ol

• ChemBase ID: 280164
• Molecular Formular: C8H11N3O
• Molecular Mass: 165.19244
• Monoisotopic Mass: 165.09021199
• SMILES: n1c(ncc2c1CCC(C2)N)O
• Canonical SMILES: NC1CCc2c(C1)cnc(n2)O
• InChI: InChI=1S/C8H11N3O/c9-6-1-2-7-5(3-6)4-10-8(12)11-7/h4,6H,1-3,9H2,(H,10,11,12)
• InChIKey: XBLDEXYVLSLNKF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-amino-5,6,7,8-tetrahydroquinazolin-2-ol
• IUPAC Traditional name: 6-amino-5,6,7,8-tetrahydroquinazolin-2-ol
• Synonyms: 6-amino-5,6,7,8-tetrahydroquinazolin-2-ol

Database IDs

• MDL Number: MFCD08447507
• PubChem SID: 180665695
• PubChem CID: 16228828

CALCULATED PROPERTIES

• Acid pKa: 14.052866
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -2.7580345
• LogD (pH = 7.4): -2.145454
• Log P: 0.257526
• Molar Refractivity: 45.0346 cm^3
• Polarizability: 17.170614 Å^3
• Polar Surface Area: 72.03 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.044

Product Information

• Purity: 95%