furo[3,2-d]pyrimidin-4-ol

• ChemBase ID: 243207
• Molecular Formular: C6H4N2O2
• Molecular Mass: 136.10816
• Monoisotopic Mass: 136.02727738
• SMILES: c12c(ncnc1cco2)O
• Canonical SMILES: Oc1ncnc2c1occ2
• InChI: InChI=1S/C6H4N2O2/c9-6-5-4(1-2-10-5)7-3-8-6/h1-3H,(H,7,8,9)
• InChIKey: FBCBUVHNVPZUTE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: furo[3,2-d]pyrimidin-4-ol
• IUPAC Traditional name: furo[3,2-d]pyrimidin-4-ol
• Synonyms: furo[3,2-d]pyrimidin-4-ol

Database IDs

• MDL Number: MFCD09834945
• PubChem SID: 164299117
• PubChem CID: 18919209

CALCULATED PROPERTIES

• Acid pKa: 11.046438
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.8855993
• LogD (pH = 7.4): 0.8855049
• Log P: 0.8856014
• Molar Refractivity: 33.4858 cm^3
• Polarizability: 13.553457 Å^3
• Polar Surface Area: 59.15 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.079

Product Information

• Purity: 95%