6-(Methylsulfanyl)pyrimidine-4,5-diamine

Base Information

• Chemical Name: 6-(Methylsulfanyl)pyrimidine-4,5-diamine
• CAS No.: 6965-92-0
• Molecular Formula: C5H8N4S
• Molecular Weight: 156.211
• NSC Number: 64091
• DSSTox Substance ID: DTXSID90289786
• Wikidata: Q82027255
• Mol file: 6965-92-0.mol

Synonyms:6965-92-0;6-(methylsulfanyl)pyrimidine-4,5-diamine;NSC64091;4, 6-(methylthio)-;NCIOpen2_000054;DTXSID90289786;NSC-64091;6-(Methylthio)pyrimidine-4,5-diamine;AKOS006273916

Chemical Property of 6-(Methylsulfanyl)pyrimidine-4,5-diamine

Chemical Property:

• Vapor Pressure: 7.3E-05mmHg at 25°C
• Boiling Point: 342.9°Cat760mmHg
• Flash Point: 161.2°C
• Density: 1.38g/cm³
• XLogP3: 0
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 156.04696745
• Heavy Atom Count: 10
• Complexity: 110

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CSC1=NC=NC(=C1N)N

Technology Process of 6-(Methylsulfanyl)pyrimidine-4,5-diamine

There total 2 articles about 6-(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:

9-(1-Ethoxyethyl-1)-6-methylthiopurine (85110-41-4) → 2-methylbenzoimidazole (934-33-8) + 8-methyl6-methylthiopurine (1008-51-1) + 4,5-diamino-6-methylthiopyrimidine (6965-92-0) + 6-methylthiopurine (50-66-8) + 9-(1-ethoxyethyl)hypoxanthine

Guidance literature:

With sodium hydroxide; In water; at 80.1 ℃; Product distribution; Rate constant; other temperatures; alkalyne hydrolysis of 6-substituted 9-(1-ethoxyethyl)purines, effect of substituent, formation of intermediates;

Reference yield:

(2R,3S,4S)-5-[(Z)-5-Amino-6-methylsulfanyl-pyrimidin-4-ylimino]-pentane-1,2,3,4-tetraol → 4,5-diamino-6-methylthiopyrimidine (6965-92-0) + D-ribose (50-69-1)

Guidance literature:

With sodium hydroxide; at 90.1 ℃; Mechanism; hydroxide ion concentration influence;

Reference yield:

2,3-dihydroxy-1,4-dioxane (4845-50-5) + 4,5-diamino-6-methylthiopyrimidine (6965-92-0) → 4-methylthiopteridine (6966-78-5)

Guidance literature:

In ethanol; water; Heating;

DOI:10.1007/BF00479617

upstream raw materials:

9-(1-Ethoxyethyl-1)-6-methylthiopurine

Downstream raw materials:

4-methylthiopteridine