2-cyclopropylpyrimidin-4-ol

• ChemBase ID: 271504
• Molecular Formular: C7H8N2O
• Molecular Mass: 136.15122
• Monoisotopic Mass: 136.06366289
• SMILES: n1c(C2CC2)nccc1O
• Canonical SMILES: Oc1ccnc(n1)C1CC1
• InChI: InChI=1S/C7H8N2O/c10-6-3-4-8-7(9-6)5-1-2-5/h3-5H,1-2H2,(H,8,9,10)
• InChIKey: HADXIKCWXJVQEO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-cyclopropylpyrimidin-4-ol
• IUPAC Traditional name: 2-cyclopropylpyrimidin-4-ol
• Synonyms: 2-cyclopropylpyrimidin-4-ol

Database IDs

• MDL Number: MFCD11046848
• PubChem SID: 164327414
• PubChem CID: 20504164

CALCULATED PROPERTIES

• Acid pKa: 12.509521
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.616829
• LogD (pH = 7.4): 1.616841
• Log P: 1.6168444
• Molar Refractivity: 37.0403 cm^3
• Polarizability: 13.878056 Å^3
• Polar Surface Area: 46.01 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 152 - 154°C
• Hydrophobicity(logP): 1.252

Product Information

• Purity: 95%