1-Amino-2,4(1H,3H)-pyrimidinedione

Base Information

• Chemical Name: 1-Amino-2,4(1H,3H)-pyrimidinedione
• CAS No.: 14493-37-9
• Molecular Formula: C4H5 N3 O2
• Molecular Weight: 127.103
• European Community (EC) Number: 858-760-1
• DSSTox Substance ID: DTXSID60932454
• Nikkaji Number: J487.902C
• Wikidata: Q82908152
• ChEMBL ID: CHEMBL4759876
• Mol file: 14493-37-9.mol

Synonyms:14493-37-9;1-Amino-2,4(1H,3H)-pyrimidinedione;1-aminopyrimidine-2,4-dione;1-amino-1,2,3,4-tetrahydropyrimidine-2,4-dione;CHEMBL4759876;2,4(1H,3H)-Pyrimidinedione, 1-amino-;1-aminouracil;SCHEMBL710129;DTXSID60932454;BDBM50549811;1-Amino-4-hydroxypyrimidin-2(1H)-one;EN300-135546

Chemical Property of 1-Amino-2,4(1H,3H)-pyrimidinedione

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 81.14000
• Density: 1.454g/cm³
• LogP: -0.75610
• XLogP3: -1.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 127.038176411
• Heavy Atom Count: 9
• Complexity: 186

Purity/Quality:

99% ^*data from raw suppliers

1-amino-1,2,3,4-tetrahydropyrimidine-2,4-dione ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CN(C(=O)NC1=O)N

Technology Process of 1-Amino-2,4(1H,3H)-pyrimidinedione

There total 6 articles about 1-Amino-2,4(1H,3H)-pyrimidinedione 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: 80.0%

O,O'-bis-(trimethylsilyl)uracil (10457-14-4) → amino uracil (14493-37-9)

Guidance literature:

With mesitylenesulfonylhydroxylamine; In dichloromethane; for 3h; Ambient temperature;

DOI:10.1248/cpb.40.1808

Reference yield: 20.0%

uracil (66-22-8,144104-68-7,18324-22-6,27072-01-1,2920-92-5,51953-19-6) → amino uracil (14493-37-9) + 3-aminouracil (13682-42-3)

Guidance literature:

With sodium hydroxide; hydroxylamine-O-sulfonic acid; for 1h; Ambient temperature;

DOI:10.1016/S0040-4020(01)89909-9

Reference yield:

4-[(2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-ylimino)-methyl]-benzoic acid → 4-Carboxybenzaldehyde (619-66-9) + amino uracil (14493-37-9)

Guidance literature:

In phosphate buffer; water-d2; pH=7; Equilibrium constant;

DOI:10.1039/b211645f

upstream raw materials:

uracil

1-amino-O⁴-ethyluracil

O,O'-bis-(trimethylsilyl)uracil

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