6-chloro-N-ethyl-2-(methylsulfanyl)-4-pyrimidinamine

Base Information

• Chemical Name: 6-chloro-N-ethyl-2-(methylsulfanyl)-4-pyrimidinamine
• CAS No.: 339017-83-3
• Molecular Formula: C7H10ClN3S
• Molecular Weight: 203.69
• DSSTox Substance ID: DTXSID20363306
• Nikkaji Number: J2.117.698B
• Wikidata: Q72450193
• ChEMBL ID: CHEMBL1701825
• Mol file: 339017-83-3.mol

Synonyms:339017-83-3;6-chloro-N-ethyl-2-(methylsulfanyl)-4-pyrimidinamine;(6-Chloro-2-methylsulfanyl-pyrimidin-4-yl)-ethyl-amine;6-chloro-N-ethyl-2-(methylthio)-4-Pyrimidinamine;6-chloro-N-ethyl-2-methylsulfanylpyrimidin-4-amine;MLS000326207;Bionet2_001000;CHEMBL1701825;SCHEMBL11371064;DTXSID20363306;REGID_for_CID_1484542;HMS1366N10;HMS2311F15;MFCD00974389;AKOS015940660;AM100677;SMR000170319;FT-0688663;7M-828;(6-Chloro-2-methylsulfanylpyrimidin-4-yl)ethylamine;6-chloro-N-ethyl-2-(methylsulfanyl)pyrimidin-4-amine

Chemical Property of 6-chloro-N-ethyl-2-(methylsulfanyl)-4-pyrimidinamine

Chemical Property:

• Boiling Point: 345.1 °C at 760 mmHg
• Flash Point: 162.5 °C
• PSA: 63.11000
• Density: 1.29 g/cm³
• LogP: 2.35670
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 203.0283962
• Heavy Atom Count: 12
• Complexity: 136

Purity/Quality:

99% ^*data from raw suppliers

2-(6-Chloro-2-(methylthio)pyrimidin-4-yl)ethanamine 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCNC1=CC(=NC(=N1)SC)Cl

Technology Process of 6-chloro-N-ethyl-2-(methylsulfanyl)-4-pyrimidinamine

There total 2 articles about 6-chloro-N-ethyl-2-(methylsulfanyl)-4-pyrimidinamine 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: 20.0%

4,6-Dichloro-2-(methylthio)pyrimidine (6299-25-8) + ethylamine (75-04-7,85404-22-4) → 4-chloro-6-ethylamino-2-methylsulfanylpyrimidine (339017-83-3)

Guidance literature:

In ethanol; at 130 ℃; for 24h;

DOI:10.1071/CH03316

Reference yield:

→ 4-chloro-6-ethylamino-2-methylsulfanylpyrimidine (339017-83-3)

Guidance literature:

In acetonitrile; at 60 ℃; for 12h;

upstream raw materials:

4,6-Dichloro-2-(methylthio)pyrimidine

ethylamine

Refernces

• 1、 -. "NEW PYRIMIDINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS (PDE-10)". Page/Page column 31; 32. . Retrieved 2014/08/07.