2-amino-9H-purin-6-ol

• ChemBase ID: 119500
• Molecular Formular: C5H5N5O
• Molecular Mass: 151.1261
• Monoisotopic Mass: 151.04940981
• SMILES: n1c2c(c(nc1N)O)nc[nH]2
• Canonical SMILES: Nc1nc(O)c2c(n1)[nH]cn2
• InChI: InChI=1S/C5H5N5O/c6-5-9-3-2(4(11)10-5)7-1-8-3/h1H,(H4,6,7,8,9,10,11)
• InChIKey: UYTPUPDQBNUYGX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-9H-purin-6-ol
• IUPAC Traditional name: 2-amino-9H-purin-6-ol
• Synonyms: 2-amino-9H-purin-6-ol

Database IDs

• PubChem SID: 162107978
• PubChem CID: 764

CALCULATED PROPERTIES

• Acid pKa: 9.0061455
• H Acceptors: 5
• H Donor: 3
• LogD (pH = 5.5): -0.15594515
• LogD (pH = 7.4): -0.16532828
• Log P: -0.15579203
• Molar Refractivity: 38.5262 cm^3
• Polarizability: 14.020421 Å^3
• Polar Surface Area: 100.71 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds