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

• ChemBase ID: 245321
• Molecular Formular: C6H8IN3
• Molecular Mass: 249.05229
• Monoisotopic Mass: 248.97629527
• SMILES: n1c(c(c(nc1C)C)I)N
• Canonical SMILES: Cc1nc(C)c(c(n1)N)I
• InChI: InChI=1S/C6H8IN3/c1-3-5(7)6(8)10-4(2)9-3/h1-2H3,(H2,8,9,10)
• InChIKey: AXCGCTDAYOLWJU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-iodo-2,6-dimethylpyrimidin-4-amine
• IUPAC Traditional name: 5-iodo-2,6-dimethylpyrimidin-4-amine
• Synonyms: 5-iodo-2,6-dimethylpyrimidin-4-amine

Database IDs

• MDL Number: MFCD04971365
• PubChem SID: 164301231
• PubChem CID: 819167

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.40429753
• LogD (pH = 7.4): 1.4280484
• Log P: 1.4871082
• Molar Refractivity: 50.3146 cm^3
• Polarizability: 18.51895 Å^3
• Polar Surface Area: 51.8 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.543

Product Information

• Purity: 95%