6-Amino-5-butylamino-1-methyluracil

Base Information

• Chemical Name: 6-Amino-5-butylamino-1-methyluracil
• CAS No.: 131598-63-5
• Molecular Formula: C9H16N4O2
• Molecular Weight: 212.25
• Hs Code.: 2933599090
• DSSTox Substance ID: DTXSID10563272
• Nikkaji Number: J2.269.476F
• Wikidata: Q82447670
• Mol file: 131598-63-5.mol

Synonyms:131598-63-5;6-AMINO-5-BUTYLAMINO-1-METHYLURACIL;6-Amino-5-(butylamino)-1-methylpyrimidine-2,4(1H,3H)-dione;6-amino-5-(butylamino)-1-methylpyrimidine-2,4-dione;6-amino-5-(butylamino)-1-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione;DTXSID10563272;AKOS008962292

Chemical Property of 6-Amino-5-butylamino-1-methyluracil

Chemical Property:

• Refractive Index: 1.567
• PSA: 93.17000
• LogP: 0.93430
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 212.12732577
• Heavy Atom Count: 15
• Complexity: 311

Purity/Quality:

98%Min ^*data from raw suppliers

6-AMINO-5-(BUTYLAMINO)-1-METHYL-1,2,3,4-TETRAHYDROPYRIMIDINE-2,4-DIONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCNC1=C(N(C(=O)NC1=O)C)N

Technology Process of 6-Amino-5-butylamino-1-methyluracil

There total 3 articles about 6-Amino-5-butylamino-1-methyluracil 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: 80.0%

6-amino-5-bromo-1-methylpyrimidine-2,4(1H,3H)-dione (14094-37-2) + N-butylamine (109-73-9,85404-21-3) → 6-amino-5-(butylamino)-1-methylpyrimidine-2,4(1H,3H)-dione (131598-63-5) + C14H21N7O4

Guidance literature:

at 80 ℃; for 7h;

Reference yield: 79.2%

6-amino-5-bromo-1-methylpyrimidine-2,4(1H,3H)-dione (14094-37-2) + N-butylamine (109-73-9,85404-21-3) → 6-amino-5-(butylamino)-1-methylpyrimidine-2,4(1H,3H)-dione (131598-63-5)

Guidance literature:

at 120 ℃; for 0.166667h; microwave irradiation;

DOI:10.1016/j.tetlet.2005.11.095

Reference yield:

6-amino-1-methyluracil (2434-53-9) → 6-amino-5-(butylamino)-1-methylpyrimidine-2,4(1H,3H)-dione (131598-63-5)

Guidance literature:

Multi-step reaction with 2 steps

1: sodium bicarbonate; bromine / methanol / 0 - 20 °C

2: 79.2 percent / 0.17 h / 120 °C / microwave irradiation

With bromine; sodium hydrogencarbonate; In methanol;

DOI:10.1016/j.tetlet.2005.11.095

upstream raw materials:

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

N-butylamine

6-amino-1-methyluracil

Downstream raw materials:

7-Butyl-3-methyl-8-phenyl-3,7-dihydro-purine-2,6-dione