5,6-Diamino-1,3-dimethyluracil

Base Information

• Chemical Name: 5,6-Diamino-1,3-dimethyluracil
• CAS No.: 5440-00-6
• Molecular Formula: C6H10N4O2
• Molecular Weight: 170.171
• Hs Code.: 2933599090
• European Community (EC) Number: 226-621-9
• NSC Number: 15493
• UNII: PBG0JXV865
• DSSTox Substance ID: DTXSID8063886
• Nikkaji Number: J210.475J
• Wikidata: Q72462839
• Mol file: 5440-00-6.mol

Synonyms:4,5-diamino-1,3-dimethyluracil

Chemical Property of 5,6-Diamino-1,3-dimethyluracil

Chemical Property:

• Appearance/Colour: pale brown solid
• Vapor Pressure: 0.0318mmHg at 25°C
• Melting Point: 210-214 °C (dec.)(lit.)
• Refractive Index: 1.58
• Boiling Point: 243.6 °C at 760 mmHg
• PKA: 4.42±0.70(Predicted)
• Flash Point: 101.1 °C
• PSA: 96.04000
• Density: 1.35 g/cm³
• LogP: -0.58920
• Solubility.: DMSO, Methanol
• XLogP3: -0.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 170.08037557
• Heavy Atom Count: 12
• Complexity: 283

Purity/Quality:

99% ^*data from raw suppliers

5,6-Diamino-1,3-dimethyl Uracil ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C(=C(C(=O)N(C1=O)C)N)N
• Uses: 5,6-Diamino-1,3-dimethyluracil hydrate can be used as reactant involved in the synthesis of biologically active molecules including: 1H-Imidazol-1-yl substituted 8-phenylxanthines for use as adenosine receptor ligands ; Pyrimidinyl purinediones via cyclocondensation ; Theophylline derivatives as adenosine receptor antagonists ; Pteridine analogs for use as monoamine oxidase B and nitric oxide synthase inhibitors ; Fused tricyclic xanthines and Cadmium uraciliminoethylpyridine complexes for use as antiproliferatives against C6 glioma cells6. 5,6-Diamino-1,3-dimethyl Uracil (cas# 5440-00-6) is a compound useful in organic synthesis. Reactant involved in the synthesis of biologically active molecules including:1H-Imidazol-1-yl substituted 8-phenylxanthines for use as adenosine receptor ligandsPyrimidinyl purinediones via cyclocondensationTheophylline derivatives as adenosine receptor antagonistsPteridine analogs for use as monoamine oxidase B and nitric oxide synthase inhibitorsFused tricyclic xanthinesCadmium uraciliminoethylpyridine complexes for use as antiproliferatives against C6 glioma cells

Technology Process of 5,6-Diamino-1,3-dimethyluracil

There total 18 articles about 5,6-Diamino-1,3-dimethyluracil 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: 95.0%

6-amino-1,3-dimethyl-5-nitroso-1H-pyrimidine-2,4-dione (6632-68-4) → 4,5-Diamino-1,3-dimethyluracil (5440-00-6)

Guidance literature:

With sodium dithionite; ammonia; In water; at 70 - 80 ℃; for 0.25h;

Reference yield: 89.0%

6-amino-1,3-dimethyl-5-nitro-1H-pyrimidine-2,4-dione (3346-61-0) → 4,5-Diamino-1,3-dimethyluracil (5440-00-6)

Guidance literature:

With sodium dithionite; ammonia;

DOI:10.1002/chem.200601231

Reference yield: 75.0%

→ 4,5-Diamino-1,3-dimethyluracil (5440-00-6)

Guidance literature:

upstream raw materials:

6-amino-1,3-dimethyl-5-nitroso-1H-pyrimidine-2,4-dione

1,3-dimethyl-4-amino-5-(formylamino)uracil

5-acetylamino-6-amino-1,3-dimethyl-1H-pyrimidine-2,4-dione

6-amino-1,3-dimethyl-5-phenylazouracilate

Downstream raw materials:

8-(4-chloro-benzyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione

8-Isobutyltheophyllin

8-(1-ethyl-propyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione

8-benzyltheophylline

Refernces

• 1、 -. "Synthesis method of theophylline". Paragraph 0049-0050. . Retrieved 2020/12/29.
• 2、 -. "Method for synthesizing caffeine". . . Retrieved 2021/01/04.