6-Benzylaminothymine

Base Information

• Chemical Name: 6-Benzylaminothymine
• CAS No.: 24722-42-7
• Molecular Formula: C₁₂H₁₃N₃O₂
• Molecular Weight: 231.254
• Hs Code.: 2933599090
• DSSTox Substance ID: DTXSID90398721
• Nikkaji Number: J1.391.987I
• Wikidata: Q82200858
• ChEMBL ID: CHEMBL310657
• Mol file: 24722-42-7.mol

Synonyms:6-Benzylaminothymine;24722-42-7;6-(benzylamino)-5-methyl-1H-pyrimidine-2,4-dione;CHEMBL310657;CBMicro_028366;Oprea1_739602;6-(Benzylamino)-5-methyluracil;DTXSID90398721;BDBM50022138;BIM-0028238.P001;FT-0766577;6-Benzylamino-5-methyl-1H-pyrimidine-2,4-dione;6-(benzylamino)-5-methylpyrimidine-2,4(1H,3H)-dione;2,4(1H,3H)-Pyrimidinedione,5-methyl-6-[(phenylmethyl)amino]-;6-(benzylamino)-5-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione

Chemical Property of 6-Benzylaminothymine

Chemical Property:

• PSA: 77.75000
• Density: 1.28g/cm3
• LogP: 1.05670
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 231.100776666
• Heavy Atom Count: 17
• Complexity: 357

Purity/Quality:

99% ^*data from raw suppliers

6-BENZYLAMINOTHYMINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(NC(=O)NC1=O)NCC2=CC=CC=C2

Technology Process of 6-Benzylaminothymine

There total 2 articles about 6-Benzylaminothymine 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: 18.0%

6-chloro-5-methylpyrimidine-2,4(1H,3H)-dione (1627-28-7) + benzylamine (100-46-9) → 6-benzylamino-5-methyl-1H-pyrimidine-2,4-dione (24722-42-7)

Guidance literature:

In 2-methoxy-ethanol; for 16h; Heating;

DOI:10.1021/jm00155a016

Reference yield:

→ 6-benzylamino-5-methyl-1H-pyrimidine-2,4-dione (24722-42-7)

Guidance literature:

Verb.4, Benzylamin;

upstream raw materials:

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

benzylamine