6-Amino-1-methyl-5-(propylamino)pyrimidine-2,4(1H,3H)-dione

Base Information

• Chemical Name: 6-Amino-1-methyl-5-(propylamino)pyrimidine-2,4(1H,3H)-dione
• CAS No.: 125092-42-4
• Molecular Formula: C₈H₁₄N₄O₂
• Molecular Weight: 198.225
• European Community (EC) Number: 687-528-0
• DSSTox Substance ID: DTXSID70559939
• Wikidata: Q82442828
• Mol file: 125092-42-4.mol

Synonyms:125092-42-4;6-Amino-1-methyl-5-(propylamino)pyrimidine-2,4(1H,3H)-dione;6-Amino-1-methyl-5-(propylamino)uracil;6-AMINO-5-PROPYLAMINO-1-METHYLURACIL;6-amino-1-methyl-5-(propylamino)pyrimidine-2,4-dione;DTXSID70559939;MFCD01074825;AKOS008962125;SB55600;AS-71163;CS-0256311;T70174;6-amino-1-methyl-5-(propylamino)-1,2,3,4-tetrahydropyrimidine-2,4-dione

Chemical Property of 6-Amino-1-methyl-5-(propylamino)pyrimidine-2,4(1H,3H)-dione

Chemical Property:

• Melting Point: 220 °C(dec.)
• Refractive Index: 1.577
• PSA: 93.17000
• LogP: 0.54420
• XLogP3: -0.2
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 198.11167570
• Heavy Atom Count: 14
• Complexity: 298

Purity/Quality:

97% ^*data from raw suppliers

6-Amino-1-methyl-5-(propylamino)uracil >98.0%(HPLC)(T) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCNC1=C(N(C(=O)NC1=O)C)N

Technology Process of 6-Amino-1-methyl-5-(propylamino)pyrimidine-2,4(1H,3H)-dione

There total 3 articles about 6-Amino-1-methyl-5-(propylamino)pyrimidine-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: 57.0%

propylamine (107-10-8,42939-71-9) + 6-amino-5-bromo-1-methylpyrimidine-2,4(1H,3H)-dione (14094-37-2) → 6-amino-1-methyl-5-(propylamino)pyrimidine-2,4(1H,3H)-dione (125092-42-4) + C13H19N7O4

Guidance literature:

at 65 ℃; for 3h;

Reference yield: 47.0%

propylamine (107-10-8,42939-71-9) + 6-amino-5-bromo-1-methylpyrimidine-2,4(1H,3H)-dione (14094-37-2) → 6-amino-1-methyl-5-(propylamino)pyrimidine-2,4(1H,3H)-dione (125092-42-4)

Guidance literature:

Reflux;

DOI:10.1016/j.ejmech.2018.11.035

Reference yield:

6-amino-1-methyluracil (2434-53-9) → 6-amino-1-methyl-5-(propylamino)pyrimidine-2,4(1H,3H)-dione (125092-42-4)

Guidance literature:

Multi-step reaction with 2 steps

1: 83 percent / sodium acetate trihydrate, Br₂ / acetic acid / 2 h / from 90 deg C to 20 deg C

2: 57 percent / 3 h / 65 °C

With bromine; sodium acetate; In acetic acid;

upstream raw materials:

propylamine

6-amino-5-bromo-1-methylpyrimidine-2,4(1H,3H)-dione

6-amino-1-methyluracil

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