6-amino-5H-pyrimidine-2,4-dione

Base Information

• Chemical Name: 6-amino-5H-pyrimidine-2,4-dione
• CAS No.: 14436-34-1
• Molecular Formula: C₄H₅N₃O₂
• Molecular Weight: 127.103
• DSSTox Substance ID: DTXSID90162686
• Nikkaji Number: J51.386E
• Mol file: 14436-34-1.mol

Synonyms:4-Iminobarbituric acid;6-amino-5H-pyrimidine-2,4-dione;USAF KF-12;Hydrouracil, 6-imino- (6CI,7CI,8CI);2,4(3H,5H)-Pyrimidinedione, 6-amino- (9CI);Pyrimidine, 2,4-dihydroxy-6-amino;6-iminopyrimidinedione;C4H6N3;SCHEMBL3325448;DTXSID90162686;C4-H6-N3;AKOS006352220;LS-135085;2,4(3H,5H)-Pyrimidinedione, 6-amino-(9CI)

Chemical Property of 6-amino-5H-pyrimidine-2,4-dione

Chemical Property:

• Boiling Point: °Cat760mmHg
• PKA: 8.56±0.40(Predicted)
• Flash Point: °C
• PSA: 82.05000
• Density: 1.84g/cm³
• LogP: -0.04950
• XLogP3: -1.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 127.038176411
• Heavy Atom Count: 9
• Complexity: 196

Purity/Quality:

96% ^*data from raw suppliers

6-Aminouracil 95%+ ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(=NC(=O)NC1=O)N

Technology Process of 6-amino-5H-pyrimidine-2,4-dione

There total 4 articles about 6-amino-5H-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:

N-(aminocarbonyl)-2-cyano-acetamide (1448-98-2) + water (7732-18-5) → 2,4-Dioxo-6-imino-1,3-diaza-hexahydrobenzol (14436-34-1)

Guidance literature:

at 120 ℃;

DOI:10.1093/geront/41.5.589

Reference yield:

N-(aminocarbonyl)-2-cyano-acetamide (1448-98-2) + furan-2,3,5(4H)-trione pyridine (1:1) → 2,4-Dioxo-6-imino-1,3-diaza-hexahydrobenzol (14436-34-1)

Guidance literature:

DOI:10.1093/nar/29.19.4006

Reference yield:

N-(aminocarbonyl)-2-cyano-acetamide (1448-98-2) + magnesium methanolate (109-88-6,16436-83-2,16436-85-4) → 2,4-Dioxo-6-imino-1,3-diaza-hexahydrobenzol (14436-34-1)

Guidance literature:

upstream raw materials:

N-(aminocarbonyl)-2-cyano-acetamide

magnesium methanolate

water