4-iodopyrimidin-5-amine

• ChemBase ID: 293177
• Molecular Formular: C4H4IN3
• Molecular Mass: 220.99913
• Monoisotopic Mass: 220.94499514
• SMILES: Nc1cncnc1I
• Canonical SMILES: Nc1cncnc1I
• InChI: InChI=1S/C4H4IN3/c5-4-3(6)1-7-2-8-4/h1-2H,6H2
• InChIKey: XIUJCJNURUXNKT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-iodopyrimidin-5-amine
• IUPAC Traditional name: 4-iodopyrimidin-5-amine
• Synonyms: 4-Iodopyrimidin-5-amine

Database IDs

• CAS Number: 942067-98-3
• MDL Number: MFCD17169943
• PubChem SID: 180678708
• PubChem CID: 71464154

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.18232128
• LogD (pH = 7.4): 0.18234135
• Log P: 0.1823416
• Molar Refractivity: 40.4933 cm^3
• Polarizability: 15.156533 Å^3
• Polar Surface Area: 51.8 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%