5-Methylaminouracil

Base Information

• Chemical Name: 5-Methylaminouracil
• CAS No.: 7577-92-6
• Molecular Formula: C5H7N3O2
• Molecular Weight: 141.129
• NSC Number: 81178
• DSSTox Substance ID: DTXSID50292256
• Nikkaji Number: J1.857.862J
• Wikidata: Q82030489
• Mol file: 7577-92-6.mol

Synonyms:5-Methylaminouracil;7577-92-6;5-(methylamino)-1H-pyrimidine-2,4-dione;NSC 81178;5-(methylamino)pyrimidine-2,4(1h,3h)-dione;NSC81178;SCHEMBL11879018;5-(methylamino)-1,2,3,4-tetrahydropyrimidine-2,4-dione;DTXSID50292256;CS-M3753;MFCD00619251;NSC-81178;AKOS006274494;CS-15356;SY286428;5-Methylamino-2,4(1H,3H)pyrimidinedione;FT-0704743;C13321

Chemical Property of 5-Methylaminouracil

Chemical Property:

• Melting Point: 297 °C
• Refractive Index: 1.569
• PKA: 9.41±0.10(Predicted)
• PSA: 77.75000
• Density: 1.36 g/cm³
• LogP: -0.82210
• XLogP3: -0.8
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 141.053826475
• Heavy Atom Count: 10
• Complexity: 209

Purity/Quality:

99% ^*data from raw suppliers

5-(methylamino)-1H-pyrimidine-2,4-dione 95%+ ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CNC1=CNC(=O)NC1=O

Technology Process of 5-Methylaminouracil

There total 1 articles about 5-Methylaminouracil 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:

5-fluorouracil (51-21-8) + methylamine (74-89-5) → BARBITURIC ACID (67-52-7,944357-77-1) + 5-(methylamino)pyrimidine-2,4(1H,3H)-dione (7577-92-6) + anhydrous 5-fluoro-6-hydroxy-5,6-dihydrouracil (37103-91-6)

Guidance literature:

In water; UV-irradiation;

DOI:10.1016/S0040-4039(02)02654-0

Reference yield: 25.3%

5-(methylamino)pyrimidine-2,4(1H,3H)-dione (7577-92-6) → 2,4-dichloro-N-methylpyrimidin-5-amine (3546-51-8)

Guidance literature:

With trichlorophosphate; In N,N-dimethyl-aniline; at 110 ℃; for 24h;

Reference yield:

5-(methylamino)pyrimidine-2,4(1H,3H)-dione (7577-92-6) → tert-butyl 3-(2-chloro-5-(methylamino)pyrimidin-4-ylamino)phenylcarbamate

Guidance literature:

Multi-step reaction with 2 steps

1: trichlorophosphate

2: butan-1-ol / Heating

With trichlorophosphate; In butan-1-ol;

DOI:10.1016/j.bmcl.2016.03.011

upstream raw materials:

5-fluorouracil

methylamine

Downstream raw materials:

2,4-dichloro-N-methylpyrimidin-5-amine

Refernces