5,6-Diamino-1,3-dimethyl-2-thioxo-2,3-dihydropyrimidin-4(1h)-one

Base Information

• Chemical Name: 5,6-Diamino-1,3-dimethyl-2-thioxo-2,3-dihydropyrimidin-4(1h)-one
• CAS No.: 6501-96-8
• Molecular Formula: C6H10N4OS
• Molecular Weight: 186.2348
• NSC Number: 95851
• DSSTox Substance ID: DTXSID10294332
• Nikkaji Number: J1.235.162C
• Wikidata: Q82033584
• Mol file: 6501-96-8.mol

Synonyms:6501-96-8;5,6-diamino-1,3-dimethyl-2-thioxo-2,3-dihydropyrimidin-4(1h)-one;NSC95851;NCIOpen2_001650;SCHEMBL9747188;DTXSID10294332;WWPPZPCNZGXBFF-UHFFFAOYSA-N;NSC-95851;AKOS006317587;4(1H)-Pyrimidinone, 5,6-diamino-2,3-dihydro-1,3-dimethyl-2-thioxo-;5,6-Diamino-1,3-dimethyl-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one

Chemical Property of 5,6-Diamino-1,3-dimethyl-2-thioxo-2,3-dihydropyrimidin-4(1h)-one

Chemical Property:

• Vapor Pressure: 0.0175mmHg at 25°C
• Boiling Point: 254.2°C at 760 mmHg
• Flash Point: 107.6°C
• Density: 1.48g/cm³
• XLogP3: -1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 186.05753213
• Heavy Atom Count: 12
• Complexity: 285

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C(=C(C(=O)N(C1=S)C)N)N

Technology Process of 5,6-Diamino-1,3-dimethyl-2-thioxo-2,3-dihydropyrimidin-4(1h)-one

There total 4 articles about 5,6-Diamino-1,3-dimethyl-2-thioxo-2,3-dihydropyrimidin-4(1h)-one 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:

6-amino-1,3-dimethyl-5-nitroso-2-thioxo-2,3-dihydropyrimidin-4(1H)-one (6501-95-7) → 1,3-dimethyl-5,6-diamino-2-thiouracil (6501-96-8)

Guidance literature:

With hydrogen; palladium on activated charcoal; In N,N-dimethyl-formamide; for 48h;

DOI:10.1021/jm00046a022

Reference yield:

6-amino-N1,N3-dimethyl-2-thioxopyrimidin-4-one (3120-52-3) → 1,3-dimethyl-5,6-diamino-2-thiouracil (6501-96-8)

Guidance literature:

Multi-step reaction with 2 steps

1: 96 percent / NaNO₂, aq. HCl / H₂O / 0.33 h

2: H₂ / 5percent Pd/C / dimethylformamide / 48 h

With hydrogenchloride; hydrogen; sodium nitrite; palladium on activated charcoal; In water; N,N-dimethyl-formamide;

DOI:10.1021/jm00046a022

Reference yield:

1-(2-Cyano-acetyl)-1,3-dimethyl-thiourea (1027454-59-6) → 1,3-dimethyl-5,6-diamino-2-thiouracil (6501-96-8)

Guidance literature:

Multi-step reaction with 3 steps

1: aq. NaOH / methanol / 0.17 h

2: 96 percent / NaNO₂, aq. HCl / H₂O / 0.33 h

3: H₂ / 5percent Pd/C / dimethylformamide / 48 h

With hydrogenchloride; sodium hydroxide; hydrogen; sodium nitrite; palladium on activated charcoal; In methanol; water; N,N-dimethyl-formamide;

DOI:10.1021/jm00046a022

upstream raw materials:

6-amino-1,3-dimethyl-5-nitroso-2-thioxo-2,3-dihydropyrimidin-4(1H)-one

6-amino-N¹,N³-dimethyl-2-thioxopyrimidin-4-one

1-(2-Cyano-acetyl)-1,3-dimethyl-thiourea