6-amino-5-iodopyrimidin-4-ol

• ChemBase ID: 803979
• Molecular Formular: C4H4IN3O
• Molecular Mass: 236.99853
• Monoisotopic Mass: 236.93990976
• SMILES: c1(c(ncnc1O)N)I
• Canonical SMILES: Ic1c(N)ncnc1O
• InChI: InChI=1S/C4H4IN3O/c5-2-3(6)7-1-8-4(2)9/h1H,(H3,6,7,8,9)
• InChIKey: JHZSQTCCDKICMM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-amino-5-iodopyrimidin-4-ol
• IUPAC Traditional name: 6-amino-5-iodopyrimidin-4-ol
• Synonyms: 4-AMINO-5-IODO-6-HYDROXYPYRIMIDINE

Database IDs

• CAS Number: 655253-93-3

CALCULATED PROPERTIES

• Acid pKa: 11.081749
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.034874
• LogD (pH = 7.4): 1.0350118
• Log P: 1.0351037
• Molar Refractivity: 43.3931 cm^3
• Polarizability: 15.827746 Å^3
• Polar Surface Area: 72.03 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%