2-Phenylamino-4-methylpiperazino-6-chloro-5-methylthio-pyrimidine

Base Information

Chemical Name:2-Phenylamino-4-methylpiperazino-6-chloro-5-methylthio-pyrimidine
CAS No.:55921-67-0
Molecular Formula:C₁₆H₂₀ClN₅S
Molecular Weight:349.887
Hs Code.:
DSSTox Substance ID:DTXSID40971346
Nikkaji Number:J85.899D
Wikidata:Q82954824
ChEMBL ID:CHEMBL35491
Mol file:55921-67-0.mol

Synonyms:55921-67-0;CHEMBL35491;BRN 0896739;2-Phenylamino-4-methylpiperazino-6-chloro-5-methylthio-pyrimidine;2-Anilino-4-chloro-6-(4-methylpiperazino)-5-methylthiopyrimidine;Pyrimidine, 2-anilino-4-chloro-6-(4-methylpiperazino)-5-methylthio-;2-pyrimidinamine, 4-chloro-6-(4-methyl-1-piperazinyl)-5-(methylthio)-n-phenyl-;SCHEMBL11565489;DTXSID40971346;BDBM50224263;6-Chloro-4-(4-methylpiperazin-1-yl)-5-(methylsulfanyl)-N-phenylpyrimidin-2(1H)-imine

Suppliers and Price of 2-Phenylamino-4-methylpiperazino-6-chloro-5-methylthio-pyrimidine

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

American Custom Chemicals Corporation
2-ANILINO-4-CHLORO-6-(4-METHYLPIPERAZINO)-5-(METHYLTHIO)PYRIMIDINE 95.00%
5MG
$ 502.23

Total 3 raw suppliers

Chemical Property of 2-Phenylamino-4-methylpiperazino-6-chloro-5-methylthio-pyrimidine

Chemical Property:

Vapor Pressure:5.87E-11mmHg at 25°C
Melting Point:129-130 °C(Solv: ethanol (64-17-5))
Boiling Point:521.1°Cat760mmHg
PKA:6.76±0.42(Predicted)
Flash Point:268.9°C
PSA：69.59000
Density:1.34g/cm³
LogP:3.42320
XLogP3:3.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:4
Exact Mass:349.1127945
Heavy Atom Count:23
Complexity:360

Purity/Quality:

99% ^*data from raw suppliers

2-ANILINO-4-CHLORO-6-(4-METHYLPIPERAZINO)-5-(METHYLTHIO)PYRIMIDINE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CN1CCN(CC1)C2=C(C(=NC(=N2)NC3=CC=CC=C3)Cl)SC

Technology Process of 2-Phenylamino-4-methylpiperazino-6-chloro-5-methylthio-pyrimidine

There total 3 articles about 2-Phenylamino-4-methylpiperazino-6-chloro-5-methylthio-pyrimidine 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:

: 344302-65-4
5-Methylsulfanyl-2-phenylamino-1H-pyrimidine-4,6-dione

: 55921-67-0
2-anilino-6-chloro-4-(N-methylpiperazino)-5-(methylthio)pyrimidine

Guidance literature:: Multi-step reaction with 2 steps

1: 28 percent / POCl₃ / 3 h / Heating

2: K₂CO₃ / butan-2-one / 8 h / Heating

With potassium carbonate; trichlorophosphate; In butanone;
DOI:10.1021/jm00354a014