2-cyclopropyl-6-methylpyrimidin-4-ol

• ChemBase ID: 58088
• Molecular Formular: C8H10N2O
• Molecular Mass: 150.1778
• Monoisotopic Mass: 150.07931295
• SMILES: c1(nc(cc(n1)C)O)C1CC1
• Canonical SMILES: Cc1cc(O)nc(n1)C1CC1
• InChI: InChI=1S/C8H10N2O/c1-5-4-7(11)10-8(9-5)6-2-3-6/h4,6H,2-3H2,1H3,(H,9,10,11)
• InChIKey: OOOLAZSWCDZAFE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-cyclopropyl-6-methylpyrimidin-4-ol
• IUPAC Traditional name: 2-cyclopropyl-6-methylpyrimidin-4-ol
• Synonyms: 2-Cyclopropyl-6-methylpyrimidin-4-ol

Database IDs

• MDL Number: MFCD11054233
• PubChem SID: 162062851
• PubChem CID: 13369604

CALCULATED PROPERTIES

• Acid pKa: 12.7016945
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.8175317
• LogD (pH = 7.4): 1.8175696
• Log P: 1.8175722
• Molar Refractivity: 41.6318 cm^3
• Polarizability: 15.636819 Å^3
• Polar Surface Area: 46.01 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 190 - 192°C
• Hydrophobicity(logP): 1.751

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%