6-cyclobutylpyrimidin-4-ol

• ChemBase ID: 244255
• Molecular Formular: C8H10N2O
• Molecular Mass: 150.1778
• Monoisotopic Mass: 150.07931295
• SMILES: c1c(ncnc1O)C1CCC1
• Canonical SMILES: Oc1ncnc(c1)C1CCC1
• InChI: InChI=1S/C8H10N2O/c11-8-4-7(9-5-10-8)6-2-1-3-6/h4-6H,1-3H2,(H,9,10,11)
• InChIKey: HRFKBSKWXGWARS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-cyclobutylpyrimidin-4-ol
• IUPAC Traditional name: 6-cyclobutylpyrimidin-4-ol
• Synonyms: 6-cyclobutylpyrimidin-4-ol

Database IDs

• MDL Number: MFCD22394139
• PubChem SID: 164300165
• PubChem CID: 45091715

CALCULATED PROPERTIES

• Acid pKa: 12.424122
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.6963536
• LogD (pH = 7.4): 1.6963586
• Log P: 1.6963627
• Molar Refractivity: 41.6084 cm^3
• Polarizability: 15.711122 Å^3
• Polar Surface Area: 46.01 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.811

Product Information

• Purity: 95%