5-iodo-2,6-dimethylpyrimidin-4-ol

• ChemBase ID: 308379
• Molecular Formular: C6H7IN2O
• Molecular Mass: 250.03705
• Monoisotopic Mass: 249.96031085
• SMILES: n1c(c(c(nc1C)C)I)O
• Canonical SMILES: Cc1nc(C)c(c(n1)O)I
• InChI: InChI=1S/C6H7IN2O/c1-3-5(7)6(10)9-4(2)8-3/h1-2H3,(H,8,9,10)
• InChIKey: LLRCHCURQABDLS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-iodo-2,6-dimethylpyrimidin-4-ol
• IUPAC Traditional name: 5-iodo-2,6-dimethylpyrimidin-4-ol
• Synonyms: 5-iodo-2,6-dimethyl-4-pyrimidinol

Database IDs

• CAS Number: 83410-37-1
• MDL Number: MFCD02081996

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.9883428
• LogD (pH = 7.4): 1.988306
• Log P: 1.9883707
• Molar Refractivity: 47.5951 cm^3
• Polarizability: 18.064447 Å^3
• Polar Surface Area: 46.01 Å^2