4,6-Bis(methylthio)-5-aminopyrimidine

Base Information

• Chemical Name: 4,6-Bis(methylthio)-5-aminopyrimidine
• CAS No.: 6311-79-1
• Molecular Formula: C6H9N3S2
• Molecular Weight: 187.2858
• NSC Number: 43258
• DSSTox Substance ID: DTXSID30285929
• Wikidata: Q82021478
• Mol file: 6311-79-1.mol

Synonyms:6311-79-1;4,6-bis(methylthio)pyrimidin-5-amine;4,6-bis(methylthio)-5-aminopyrimidine;5-amino-4,6-dimethylthiopyrimidine;NSC43258;SCHEMBL5064766;DTXSID30285929;QEIFJODKTBVZGP-UHFFFAOYSA-N;NSC-43258;4,6-bis(methylsulfanyl)-5-pyrimidinamine

Chemical Property of 4,6-Bis(methylthio)-5-aminopyrimidine

Chemical Property:

• Vapor Pressure: 0.000657mmHg at 25°C
• Refractive Index: 1.654
• Boiling Point: 309 °C at 760 mmHg
• Flash Point: 140.7 °C
• Density: 1.34 g/cm³
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 187.02378965
• Heavy Atom Count: 11
• Complexity: 110

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CSC1=C(C(=NC=N1)SC)N

Technology Process of 4,6-Bis(methylthio)-5-aminopyrimidine

There total 3 articles about 4,6-Bis(methylthio)-5-aminopyrimidine 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: 56.0%

4,6-bismethylthio-5-nitropyrimidine (88317-72-0) → pyrimidin-5-amine (591-55-9) + 4,6-bis(methylthio)-5-aminopyrimidine (6311-79-1)

Guidance literature:

With ammonium hydroxide; hydrogen; nickel; for 2h;

Reference yield:

5-amino-4,6-dichloropyridimine (5413-85-4) + sodium thiomethoxide (5188-07-8) → 4,6-bis(methylthio)-5-aminopyrimidine (6311-79-1)

Guidance literature:

In methanol; water; at 20 ℃; for 6h;

Reference yield:

→ 4,6-bis(methylthio)-5-aminopyrimidine (6311-79-1)

Guidance literature:

5-Amino-pyrimidin-dithiol-(4,6), n-NaOH, CH3Br, 3 Std.;

DOI:10.1021/jo01062a037

upstream raw materials:

4,6-bismethylthio-5-nitropyrimidine

5-amino-4,6-dichloropyridimine

sodium thiomethoxide

Downstream raw materials:

2-(3-methoxybenzyl)-7-(methylthio)[1,3]thiazolo[5,4-d]pyrimidine

2-[4-(chloromethyl)phenyl]-7-(methylthio)[1,3]thiazolo[5,4-d]pyrimidine

2-[3-(chloromethyl)phenyl]-7-(methylthio)[1,3]thiazolo[5,4-d]pyrimidine

7-(methylthio)-2-(3-nitrophenyl)[1,3]thiazolo[5,4-d]pyrimidine

Refernces

• 1、 Hurst, Derek T.. "The Synthesis and Chemistry of 2-Methylpyrimidine-4,6-dithiol and Some Related Compounds". . p. 1477 - 1482. Retrieved 2007/10/02.