N-(6-Amino-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-5-yl)formamide

Base Information

• Chemical Name: N-(6-Amino-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-5-yl)formamide
• CAS No.: 64194-62-3
• Molecular Formula: C5H6N4O2S
• Molecular Weight: 186.194
• NSC Number: 45763
• DSSTox Substance ID: DTXSID50360888
• Mol file: 64194-62-3.mol

Synonyms:64194-62-3;NSC45763;N-(6-Amino-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-5-yl)formamide;SCHEMBL774775;DTXSID50360888;NSC-45763;AKOS006274976

Chemical Property of N-(6-Amino-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-5-yl)formamide

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: 1.64g/cm³
• XLogP3: -1.4
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 186.02114662
• 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: C(=O)NC1=C(NC(=S)NC1=O)N

Technology Process of N-(6-Amino-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-5-yl)formamide

There total 3 articles about N-(6-Amino-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-5-yl)formamide 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:

formic acid (64-18-6) + 4,5-diamino-6-hydroxy-2-thiopyrimidine (1004-76-8) → 4-amino-5-formamido-6-hydroxy-2-mercaptopyrimidine (64194-62-3)

Guidance literature:

Heating;

DOI:10.1021/jm950876u

Reference yield:

formic acid (64-18-6) + 5,6-diamino-2,3-dihydro-2-thioxo-4(1H)-pyrimidinone (1004-76-8) → N-(4-amino-2-mercapto-6-oxo-1,6-dihydropyrimidin-5-yl) formamide (64194-62-3)

Guidance literature:

at 101 ℃; for 2h;

DOI:10.1016/j.ejmech.2020.112317

Reference yield:

formic acid (64-18-6) → 6-amino-5-formylamino-2-thioxo-2,3-dihydro-1H-pyrimidin-4-one (64194-62-3)

Guidance literature:

upstream raw materials:

formic acid

5,6-diamino-2,3-dihydro-2-thioxo-4(1H)-pyrimidinone

4,5-diamino-6-hydroxy-2-thiopyrimidine

Downstream raw materials:

2-thioxanthine

2-Methylthio-6-hydroxy-purin

2-benzylmercapto-6-(2-hydroxy-3-methoxybenzylamino)purine

2-benzylmercapto-6-chloropurine