5-Iodopyrimidin-4-amine

Base Information

• Chemical Name: 5-Iodopyrimidin-4-amine
• CAS No.: 91416-96-5
• Molecular Formula: C4H4IN3
• Molecular Weight: 221
• Hs Code.: 2933599090
• European Community (EC) Number: 849-800-9
• DSSTox Substance ID: DTXSID20532792
• Wikidata: Q72438444
• Mol file: 91416-96-5.mol

Synonyms:5-iodopyrimidin-4-amine;91416-96-5;4-AMINO-5-IODOPYRIMIDINE;MFCD09999223;4-Pyrimidinamine, 5-iodo-;5-iodo-pyrimidin-4-ylamine;5-iodo-pyrimidin-4-yl amine;SCHEMBL1312222;DTXSID20532792;HTBFTDHEWCRQPJ-UHFFFAOYSA-N;AMY10281;BCP30397;AKOS015152396;CS-W009207;GS-5873;SB60552;SY112544;EN300-7322956;A843860;J-514398;5-Iodopyrimidin-4-amine pound>>4-Pyrimidinamine, 5-iodo- pound>>5-iodo-4-pyrimidinamine

Chemical Property of 5-Iodopyrimidin-4-amine

Chemical Property:

• Vapor Pressure: 0.000275mmHg at 25°C
• Melting Point: 188-189 °C
• Refractive Index: 1.719
• Boiling Point: 322.7 °C at 760 mmHg
• PKA: 3.86±0.10(Predicted)
• Flash Point: 148.9 °C
• PSA: 51.80000
• Density: 2.204 g/cm³
• LogP: 1.24460
• Storage Temp.: Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 220.94499
• Heavy Atom Count: 8
• Complexity: 77.7

Purity/Quality:

97% ^*data from raw suppliers

4-Amino-5-iodopyrimidine 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=C(C(=NC=N1)N)I

Technology Process of 5-Iodopyrimidin-4-amine

There total 2 articles about 5-Iodopyrimidin-4-amine which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 100.0%

pyrimidin-4-amine (163133-86-6,163133-87-7,176772-96-6,176773-06-1,176773-07-2,176799-58-9,591-54-8) → 4-amino-5-iodopyrimidine (91416-96-5)

Guidance literature:

With iodine; In dimethyl sulfoxide; at 80 ℃; for 0.2h;

Reference yield:

→ 4-amino-5-iodopyrimidine (91416-96-5)

Guidance literature:

1.2-Dihydro-5-jod-4-methoxy-2-oxopyrimidin, CH3OH/NH3;

Reference yield: 50.0%

4-amino-5-iodopyrimidine (91416-96-5) + 6-(5-fluoro-2-methoxyphenyl)-6-methyl-4-trifluoromethylhept-1-yn-4-ol (609849-80-1) → 1-(4-aminopyrimidin-5-yl)-6-(5-fluoro-2-methoxyphenyl)-6-methyl-4-trifluoromethylhept-1-yn-4-ol (1562399-03-4)

Guidance literature:

With bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; triethylamine; In N,N-dimethyl-formamide; at 20 ℃; for 15h; Inert atmosphere;

DOI:10.1021/jm4019178

upstream raw materials:

pyrimidin-4-amine

Downstream raw materials:

5-[(1-methyl-4-phenyl-1H-imidazol-5-yl)ethylnyl]pyrimidin-4-amine

5-(3-(5-fluoro-2-methoxyphenyl)benzo[d]isoxazol-7-yl)pyrimidin-4-amine

7-(4-(1H-pyrazol-1-yl)pyrimidin-5-yl)-3-(2-chlorophenyl)benzo[d]isoxazole

1-(5-aminopyrimidin-4-yl)-6-(5-fluoro-2-methylphenyl)-6-methyl-4-trifluoromethylhept-1-yn-4-ol