2-Amino-4-iodo-6-methoxypyrimidine

Base Information

• Chemical Name: 2-Amino-4-iodo-6-methoxypyrimidine
• CAS No.: 100594-13-6
• Molecular Formula: C5H6IN3O
• Molecular Weight: 251
• Hs Code.: 2933599590
• DSSTox Substance ID: DTXSID50550540
• Wikidata: Q82429948
• Mol file: 100594-13-6.mol

Synonyms:2-Amino-4-iodo-6-methoxypyrimidine;100594-13-6;4-iodo-6-methoxypyrimidin-2-amine;MFCD09265491;SCHEMBL8348964;DTXSID50550540;OUUIKPWOPKWOHG-UHFFFAOYSA-N;AKOS015852302;SB60546;BS-14160;SY318688;CS-0150231;A19513;D83006;W-204378

Chemical Property of 2-Amino-4-iodo-6-methoxypyrimidine

Chemical Property:

• Vapor Pressure: 6.51E-07mmHg at 25°C
• Boiling Point: 409.4°C at 760 mmHg
• PKA: 2.56±0.10(Predicted)
• Flash Point: 201.4°C
• PSA: 61.03000
• Density: 2.02g/cm³
• LogP: 1.25320
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 250.95556
• Heavy Atom Count: 10
• Complexity: 113

Purity/Quality:

97% ^*data from raw suppliers

2-Amino-4-iodo-6-methoxypyrimidine ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 43
• Safety Statements: 36/37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC(=NC(=N1)N)I
• Uses: 2-Amino-4-iodo-6-methoxypyrimidine is used as a reactant in the synthetic preparation of sulfonylureas with antifungal activity that are potent inhibitors of Candida albicans acetohydroxyacid synthase.