6-Ethylamino-1,3-dimethyl-1H-pyrimidine-2,4-dione

Base Information

• Chemical Name: 6-Ethylamino-1,3-dimethyl-1H-pyrimidine-2,4-dione
• CAS No.: 5770-43-4
• Molecular Formula: C8H13N3O2
• Molecular Weight: 183.21
• DSSTox Substance ID: DTXSID10349553
• Wikidata: Q82124898
• ChEMBL ID: CHEMBL1567023
• Mol file: 5770-43-4.mol

Synonyms:5770-43-4;6-Ethylamino-1,3-dimethyl-1H-pyrimidine-2,4-dione;6-(Ethylamino)-1,3-dimethylpyrimidine-2,4(1H,3H)-dione;6-ETHYLAMINO-1,3-DIMETHYLURACIL;SMR000009570;Oprea1_307292;Oprea1_455428;MLS000035858;CHEMBL1567023;DTXSID10349553;HMS2285H06;6-(ethylamino)-1,3-dimethyl-1,2,3,4-tetrahydropyrimidine-2,4-dione;AKOS006277877;FT-0621111;EN300-1085456

Chemical Property of 6-Ethylamino-1,3-dimethyl-1H-pyrimidine-2,4-dione

Chemical Property:

• Vapor Pressure: 0.00492mmHg at 25°C
• Boiling Point: 276°C at 760 mmHg
• Flash Point: 120.7°C
• PSA: 56.03000
• Density: 1.21g/cm³
• LogP: -0.41120
• XLogP3: 0
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 183.100776666
• Heavy Atom Count: 13
• Complexity: 273

Purity/Quality:

98%Min ^*data from raw suppliers

6-(ETHYLAMINO)-1,3-DIMETHYL-1,2,3,4-TETRAHYDROPYRIMIDINE-2,4-DIONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCNC1=CC(=O)N(C(=O)N1C)C

Technology Process of 6-Ethylamino-1,3-dimethyl-1H-pyrimidine-2,4-dione

There total 5 articles about 6-Ethylamino-1,3-dimethyl-1H-pyrimidine-2,4-dione 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: 37.0%

6-Amino-1,3-dimethylbarbituric acid (6642-31-5) + ethanol (64-17-5) → 6-ethylamino-1,3-dimethyl-1H-pyrimidine-2,4-dione (5770-43-4)

Guidance literature:

With μ-diiodo-di((η5-pentamethylcyclopentadienyl)(iodo)iridium); potassium hydroxide; at 110 ℃; for 24h; Inert atmosphere; Green chemistry;

DOI:10.1002/ejoc.201701445

Reference yield:

1,3-dimethylbarbituric acid (769-42-6) → 6-ethylamino-1,3-dimethyl-1H-pyrimidine-2,4-dione (5770-43-4)

Guidance literature:

Multi-step reaction with 2 steps

1: POCl₃

2: water

With water; trichlorophosphate;

Reference yield:

6-Amino-1,3-dimethylbarbituric acid (6642-31-5) → 6-ethylamino-1,3-dimethyl-1H-pyrimidine-2,4-dione (5770-43-4)

Guidance literature:

Multi-step reaction with 3 steps

1: aqueous HCl

2: POCl₃

3: water

With hydrogenchloride; water; trichlorophosphate;

upstream raw materials:

1,3-Dimethyl-6-chlorouracil

ethylamine

1,3-dimethylbarbituric acid

6-Amino-1,3-dimethylbarbituric acid

Downstream raw materials:

8-methyltheophylline

1,3-dimethyl-5-cyanoacetyl-6-ethylaminouracil

Refernces