2,6-Bis(methylsulfanyl)pyrimidine-4,5-diamine

Base Information

• Chemical Name: 2,6-Bis(methylsulfanyl)pyrimidine-4,5-diamine
• CAS No.: 61772-85-8
• Molecular Formula: C6H10N4S2
• Molecular Weight: 202.3004
• NSC Number: 45771
• DSSTox Substance ID: DTXSID70286435
• Wikidata: Q82022156
• Mol file: 61772-85-8.mol

Synonyms:61772-85-8;2,6-Bis(methylthio)pyrimidine-4,5-diamine;2,6-bis(methylsulfanyl)pyrimidine-4,5-diamine;NSC45771;4,5-Diamino-2,6-dimethylthiopyrimidine;SCHEMBL6899128;DTXSID70286435;NSC-45771

Chemical Property of 2,6-Bis(methylsulfanyl)pyrimidine-4,5-diamine

Chemical Property:

• Vapor Pressure: 9.67E-07mmHg at 25°C
• Boiling Point: 404.1°Cat760mmHg
• Flash Point: 198.2°C
• Density: 1.41g/cm³
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 202.03468868
• Heavy Atom Count: 12
• Complexity: 146

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CSC1=NC(=NC(=C1N)N)SC

Technology Process of 2,6-Bis(methylsulfanyl)pyrimidine-4,5-diamine

There total 4 articles about 2,6-Bis(methylsulfanyl)pyrimidine-4,5-diamine 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: 67.0%

4,5-diamino-2,6-dimercaptopyrimidine (31295-41-7) + dimethyl sulfate (77-78-1) → 2,6-bis(methylthio)pyrimidine-4,5-diamine (61772-85-8)

Guidance literature:

With sodium hydroxide; In ethanol;

DOI:10.1007/BF00473492

Reference yield: 49.0%

4,5-diamino-2,6-dimercaptopyrimidine (31295-41-7) + methyl iodide (74-88-4) → 2,6-bis(methylthio)pyrimidine-4,5-diamine (61772-85-8)

Guidance literature:

4,5-diamino-2,6-dimercaptopyrimidine; With potassium carbonate; In N,N-dimethyl-formamide; at 20 ℃; for 0.0833333h;

methyl iodide; In N,N-dimethyl-formamide; at 20 ℃; for 3h;

DOI:10.1007/s00044-018-2275-9

Reference yield:

2,6-bis-methylsulfanyl-5-nitro-pyrimidin-4-ylamine (856971-96-5) → 2,6-bis(methylthio)pyrimidine-4,5-diamine (61772-85-8)

Guidance literature:

With methanol; nickel; Hydrogenation;

DOI:10.1021/ja01649a022

upstream raw materials:

2,6-bis-methylsulfanyl-5-nitro-pyrimidin-4-ylamine

4,5-diamino-2,6-dimercaptopyrimidine

dimethyl sulfate

methyl iodide

Downstream raw materials:

2,6-bis-methylsulfanyl-7⁽⁹⁾H-purine