6-Amino-1,3-dimethyl-5-nitropyrimidine-2,4(1h,3h)-dione

Base Information

• Chemical Name: 6-Amino-1,3-dimethyl-5-nitropyrimidine-2,4(1h,3h)-dione
• CAS No.: 3346-61-0
• Molecular Formula: C6H8N4O4
• Molecular Weight: 200.154
• Hs Code.: 2933599090
• NSC Number: 99328
• DSSTox Substance ID: DTXSID50295020
• Wikidata: Q82034680
• Mol file: 3346-61-0.mol

Synonyms:3346-61-0;6-amino-1,3-dimethyl-5-nitropyrimidine-2,4(1h,3h)-dione;6-amino-1,3-dimethyl-5-nitropyrimidine-2,4-dione;6-amino-1,3-dimethyl-5-nitro-1,2,3,4-tetrahydropyrimidine-2,4-dione;NSC99328;Oprea1_869253;SCHEMBL19374980;DTXSID50295020;6-amino-5-(nitro)-1,3-dimethylpyrimidine-2,4(1H,3H)-dione;NSC-99328;AKOS017547910;CS-0246968;FT-0661763;EN300-3504988;AB-323/25048306;6-AMINO-1,3-DIMETHYL-5-NITRO-1H-PYRIMIDINE-2,4-DIONE

Chemical Property of 6-Amino-1,3-dimethyl-5-nitropyrimidine-2,4(1h,3h)-dione

Chemical Property:

• Vapor Pressure: 0.0162mmHg at 25°C
• Melting Point: 241-243°C
• Boiling Point: 255.5°Cat760mmHg
• Flash Point: 108.3°C
• PSA: 115.84000
• Density: 1.58g/cm³
• LogP: -0.32120
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 200.05455475
• Heavy Atom Count: 14
• Complexity: 355

Purity/Quality:

99% ^*data from raw suppliers

6-Amino-1,3-dimethyl-5-nitrosouracil ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C(=C(C(=O)N(C1=O)C)[N+](=O)[O-])N

Technology Process of 6-Amino-1,3-dimethyl-5-nitropyrimidine-2,4(1h,3h)-dione

There total 4 articles about 6-Amino-1,3-dimethyl-5-nitropyrimidine-2,4(1h,3h)-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: 95.0%

6-Amino-1,3-dimethylbarbituric acid (6642-31-5) → 6-amino-1,3-dimethyl-5-nitro-1H-pyrimidine-2,4-dione (3346-61-0)

Guidance literature:

With potassium nitrite; acetic acid;

DOI:10.1002/chem.200601231

Reference yield:

4,6-dimethyl-1-oxy-4H-[1,2,5]thiadiazolo[3,4-d]pyrimidine-5,7-dione (183987-66-8) → 6-amino-1,3-dimethyl-5-nitro-1H-pyrimidine-2,4-dione (3346-61-0)

Guidance literature:

With dihydrogen peroxide; In water; Heating;

DOI:10.1023/A:1017504525260

Reference yield:

4,6-dimethyl-1-oxy-4H-[1,2,5]selenadiazolo[3,4-d]pyrimidine-5,7-dione (183987-67-9) → 6-amino-1,3-dimethyl-5-nitro-1H-pyrimidine-2,4-dione (3346-61-0)

Guidance literature:

With dihydrogen peroxide; In water; Heating;

DOI:10.1023/A:1017504525260

upstream raw materials:

4,6-dimethyl-1-oxy-4H-[1,2,5]thiadiazolo[3,4-d]pyrimidine-5,7-dione

4,6-dimethyl-1-oxy-4H-[1,2,5]selenadiazolo[3,4-d]pyrimidine-5,7-dione

6-Amino-1,3-dimethylbarbituric acid

Downstream raw materials:

5-(3,5-di-tert-butyl-4-hydroxyphenylcarboxamido)-1-(4-fluorophenyl)-3-methyl-6-methylamino-2,4-(1H,3H)-pyrimidinedione

6-amino-5-(3,5-di-tert-butyl-4-hydroxyphenylcarboxamido)-1,3-dimethyl-2,4-(1H,3H)-pyrimidinedione

5-amino-1-(4-fluoro-phenyl)-3-methyl-6-methylamino-1H-pyrimidine-2,4-dione

1-(4-fluoro-phenyl)-3-methyl-6-methylamino-5-nitroso-1H-pyrimidine-2,4-dione