6-cyclopropylpyrimidin-4-ol

• ChemBase ID: 247763
• Molecular Formular: C7H8N2O
• Molecular Mass: 136.15122
• Monoisotopic Mass: 136.06366289
• SMILES: C1(c2cc(ncn2)O)CC1
• Canonical SMILES: Oc1ncnc(c1)C1CC1
• InChI: InChI=1S/C7H8N2O/c10-7-3-6(5-1-2-5)8-4-9-7/h3-5H,1-2H2,(H,8,9,10)
• InChIKey: ZCBSUUFNOFEDES-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-cyclopropylpyrimidin-4-ol
• IUPAC Traditional name: 6-cyclopropylpyrimidin-4-ol
• Synonyms: 6-cyclopropylpyrimidin-4-ol; 6-cyclopropyl-4-pyrimidinol

Database IDs

• CAS Number: 7038-75-7
• MDL Number: MFCD12032878
• PubChem SID: 164303673
• PubChem CID: 23321682

CALCULATED PROPERTIES

• Acid pKa: 12.424042
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.2517849
• LogD (pH = 7.4): 1.2517899
• Log P: 1.2517941
• Molar Refractivity: 37.0074 cm^3
• Polarizability: 13.876473 Å^3
• Polar Surface Area: 46.01 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 188 - 190°C
• Hydrophobicity(logP): 1.252

Product Information

• Purity: 95%