4-Amino-2,6-dimethylpyrimidine-5-carbonitrile

Base Information

• Chemical Name: 4-Amino-2,6-dimethylpyrimidine-5-carbonitrile
• CAS No.: 34684-87-2
• Molecular Formula: C7H8 N4
• Molecular Weight: 148.1686
• Hs Code.: 2933599090
• European Community (EC) Number: 668-736-0
• DSSTox Substance ID: DTXSID60383164
• Nikkaji Number: J1.408.483E
• Wikidata: Q82174797
• Mol file: 34684-87-2.mol

Synonyms:34684-87-2;4-amino-2,6-dimethylpyrimidine-5-carbonitrile;4-AMINO-5-CYANO-2,6-DIMETHYLPYRIMIDINE;4-amino-2,6-dimethyl-5-pyrimidine carbonitrile;SCHEMBL4278150;DTXSID60383164;CEXUMRPXQINZGM-UHFFFAOYSA-N;AKOS006271547;2,6-Dimethyl-4-amino-5-cyanpyrimidin;FT-0692403;2,6-Dimethyl-4-amino-5-pyrimidinecarbonitrile

Chemical Property of 4-Amino-2,6-dimethylpyrimidine-5-carbonitrile

Chemical Property:

• Vapor Pressure: 0.000221mmHg at 25°C
• Refractive Index: 1.569
• Boiling Point: 326°Cat760mmHg
• Flash Point: 151°C
• PSA: 76.32000
• Density: 1.22g/cm³
• LogP: 0.47738
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 148.074896272
• Heavy Atom Count: 11
• Complexity: 182

Purity/Quality:

99% ^*data from raw suppliers

4-Amino-5-cyano-2,6-dimethylpyrimidine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(=NC(=N1)C)N)C#N

Technology Process of 4-Amino-2,6-dimethylpyrimidine-5-carbonitrile

There total 9 articles about 4-Amino-2,6-dimethylpyrimidine-5-carbonitrile 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: 87.0%

acetamidine hydrochloride (124-42-5) + (1-ethoxyethylidene)malononitrile (5417-82-3) → 4-amino-2,6-dimethylpyrimidine-5-carbonitrile (34684-87-2)

Guidance literature:

acetamidine hydrochloride; With ethanol; sodium; at 20 ℃; for 0.5h;

(1-ethoxyethylidene)malononitrile;

DOI:10.1021/acs.jafc.0c07701

Reference yield:

4-chloro-2,6-dimethyl-pyrimidine-5-carbonitrile → 4-amino-2,6-dimethylpyrimidine-5-carbonitrile (34684-87-2)

Guidance literature:

With ammonia;

Reference yield:

2,4-dimethyl-6-oxo-1,6-dihydro-pyrimidine-5-carbonitrile (128199-32-6) → 4-amino-2,6-dimethylpyrimidine-5-carbonitrile (34684-87-2)

Guidance literature:

Multi-step reaction with 2 steps

1: POCl₃

2: NH₃

With ammonia; trichlorophosphate;

upstream raw materials:

sodium ethanolate

acetamidine

malononitrile

(1-ethoxyethylidene)malononitrile

Downstream raw materials:

2,6-Dimethyl-4-amino-5-aminomethyl-pyrimidin

4-Amino-5-bromomethyl-2,6-dimethylpyrimidine hydrobromide

3-(4-amino-2,6-dimethyl-pyrimidin-5-ylmethyl)-5-(2-hydroxy-ethyl)-4-methyl-thiazolium; dipicrate

C₃₀H₃₇N₅O₆S