4,5,6-Triaminopyrimidine

Base Information

• Chemical Name: 4,5,6-Triaminopyrimidine
• CAS No.: 118-70-7
• Molecular Formula: C4H7 N5
• Molecular Weight: 125.133
• Hs Code.: 2933599090
• European Community (EC) Number: 204-270-2
• NSC Number: 145059
• UNII: PHL9UQ3Q4H
• DSSTox Substance ID: DTXSID10151996
• Nikkaji Number: J257.537J
• Wikidata: Q72509599
• ChEMBL ID: CHEMBL2151973
• Mol file: 118-70-7.mol

Synonyms:4,5,6-pyrimidinetriamine;4,5,6-triaminopyrimidine;4,5,6-triaminopyrimidine sulfate;4,5,6-triaminopyrimidine sulfate (1:1);4,5,6-triaminopyrimidine sulfate (1:1), monohydrate;4,5,6-triaminopyrimidine sulfate (2:1)

Chemical Property of 4,5,6-Triaminopyrimidine

Chemical Property:

• Vapor Pressure: 8.28E-07mmHg at 25°C
• Melting Point: 257 °C (decomp)(Solv: water (7732-18-5))
• Boiling Point: 406.2°Cat760mmHg
• PKA: 5.60±0.30(Predicted)
• Flash Point: 228.5°C
• PSA: 103.84000
• Density: 1.512g/cm³
• LogP: 0.96680
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• XLogP3: -1.2
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 125.07014524
• Heavy Atom Count: 9
• Complexity: 85

Purity/Quality:

98%,99%, ^*data from raw suppliers

Pyrimidine-4,5,6-triamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=NC(=C(C(=N1)N)N)N

Technology Process of 4,5,6-Triaminopyrimidine

There total 16 articles about 4,5,6-Triaminopyrimidine 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: 99.0%

4,5,6-triaminopyrimidine sulfate (49721-45-1) → 4,5,6-triaminopyrimidine (118-70-7)

Guidance literature:

4,5,6-triaminopyrimidine sulfate; With sodium hydroxide; water; at 80 ℃;

With hydrogenchloride; water; at 0 - 5 ℃; pH=7.0;

Reference yield: 97.0%

4,6-diamino-5-nitrosylpyrimidine (61908-15-4) → 4,5,6-triaminopyrimidine (118-70-7)

Guidance literature:

With hydrogen; sodium hydroxide; In methanol; for 48h;

DOI:10.1080/15257770903054241

Reference yield: 93.0%

4,6-Diamino-5-nitropyrimidine (2164-84-3) → 4,5,6-triaminopyrimidine (118-70-7)

Guidance literature:

With hydrazine hydrate; In ethanol; at 25 ℃; Temperature;

upstream raw materials:

4,6-diamino-5-nitrosylpyrimidine

4,6-Diamino-5-nitropyrimidine

4,5,6-triamino-pyrimidine-2-sulfinic acid

4,6-diamino-5-phenylazopyrimidine

Downstream raw materials:

7H-purin-6-ylamine

1H-1,2,3-triazolo[4,5-d]pyrimidin-7-amine

[1,2,5]thiadiazolo[3,4-d]pyrimidin-7-ylamine

6-amino-7,9-dihydro-8H-purine-8-thione

Refernces

• 1、 Abrams,Clark. "-". . p. 4609. Retrieved 1951.
• 2、 -. "Adenine intermediate pyrimidine-azo compound and preparation method thereof". Paragraph 0023. . Retrieved 2017/07/14.
• 3、 -. "Method for synthesis of adenine (by machine translation)". Paragraph 0034; 0105; 0110-0111. . Retrieved 2017/02/24.