Pyrimidine, 4-chloro-2-ethylamino-6-(4-methylpiperazino)-5-methylthio-

Base Information

• Chemical Name: Pyrimidine, 4-chloro-2-ethylamino-6-(4-methylpiperazino)-5-methylthio-
• CAS No.: 55477-17-3
• Molecular Formula: C12H20ClN5S
• Molecular Weight: 301.8387
• DSSTox Substance ID: DTXSID00204041
• Nikkaji Number: J85.920F
• Wikidata: Q83077495
• ChEMBL ID: CHEMBL413743
• Mol file: 55477-17-3.mol

Synonyms:55477-17-3;Pyrimidine, 4-chloro-2-ethylamino-6-(4-methylpiperazino)-5-methylthio-;CHEMBL413743;2-pyrimidinamine, 4-chloro-n-ethyl-6-(4-methyl-1-piperazinyl)-5-(methylthio)-;BRN 0672542;4-Chloro-2-ethylamino-6-(4-methylpiperazino)-5-methylthiopyrimidine;SCHEMBL11562274;DTXSID00204041;BDBM50224249

Chemical Property of Pyrimidine, 4-chloro-2-ethylamino-6-(4-methylpiperazino)-5-methylthio-

Chemical Property:

• Vapor Pressure: 2.85E-08mmHg at 25°C
• Boiling Point: 449.5°Cat760mmHg
• Flash Point: 225.6°C
• PSA: 72.82000
• Density: 1.29g/cm³
• LogP: 1.46030
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 301.1127945
• Heavy Atom Count: 19
• Complexity: 275

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCNC1=NC(=C(C(=N1)Cl)SC)N2CCN(CC2)C

Technology Process of Pyrimidine, 4-chloro-2-ethylamino-6-(4-methylpiperazino)-5-methylthio-

There total 2 articles about Pyrimidine, 4-chloro-2-ethylamino-6-(4-methylpiperazino)-5-methylthio- 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:

1-methyl-piperazine (109-01-3) + 2-Ethylamino-4,6-dichloro-5-methylthio-pyrimidine (40765-74-0) → 2-Ethylamino-4-(4-methylpiperazino)-5-methylmercapto-6-chlorpyrimidin (55477-17-3)

Guidance literature:

With triethylamine; In benzene; for 3h; Yield given;

DOI:10.1021/jm00354a014

Reference yield:

→ 2-Ethylamino-4-(4-methylpiperazino)-5-methylmercapto-6-chlorpyrimidin (55477-17-3)

Guidance literature:

2-Ethylamino-4,6-dichlor-5-methylmercapto-pyrimidin, N-Methylpiperazin/EtOH/Δ;

DOI:10.1021/jm00240a004

upstream raw materials:

1-methyl-piperazine

2-Ethylamino-4,6-dichloro-5-methylthio-pyrimidine

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