structure of 6-amino-5-(butylamino)-1-propylpyrimidine-2,4(1H,3H)-dione

6-amino-5-(butylamino)-1-propylpyrimidine-2,4(1H,3H)-dione

CAS No.: 99991-93-2
M. Wt: 240.30200
M. Fa: C11H20N4O2
InChI Key: NRFSRNQYQZSBOL-UHFFFAOYSA-N

Names and Identifiers of 99991-93-2

CAS Number

99991-93-2

IUPAC Name

6-amino-5-(butylamino)-1-propylpyrimidine-2,4-dione

InChI

InChI=1S/C11H20N4O2/c1-3-5-6-13-8-9(12)15(7-4-2)11(17)14-10(8)16/h13H,3-7,12H2,1-2H3,(H,14,16,17)

InChIKey

NRFSRNQYQZSBOL-UHFFFAOYSA-N

Canonical SMILES

CCCCNC1=C(N(C(=O)NC1=O)CCC)N

Physical and chemical properties of 99991-93-2

Density

1.17g/cm3

Exact Mass

240.15900

Index of Refraction

1.552

LogP

1.80730

Molecular Formula

C11H20N4O2

Molecular Weight

240.30200

PSA

93.17000

Solubility

>36 [ug/mL] (The mean of the results at pH 7.4)

Safety Information of 99991-93-2

Pictograms

Signal Word

 Warning

Safety Data Sheet
Supports customized editing of SDS information and downloading in PDF documents.

Applications of 99991-93-2

6-amino-5-(butylamino)-1-propylpyrimidine-2,4(1H,3H)-dione has several applications:

  • Medicinal Chemistry: It serves as a scaffold for developing new pharmaceutical agents targeting various diseases.
  • Proteomics Research: Utilized in studies involving protein interactions and enzyme assays due to its ability to modify protein structures.
  • Chemical Biology: Acts as a tool compound for investigating biochemical pathways and cellular processes.

These applications reflect its significance in both academic research and industrial settings .

Interaction Studies of 99991-93-2

Interaction studies involving 6-amino-5-(butylamino)-1-propylpyrimidine-2,4(1H,3H)-dione focus on its binding affinity with biological macromolecules:

  • Protein Binding Assays: Investigating how this compound interacts with target proteins can reveal insights into its mechanism of action.
  • Enzyme Kinetics: Studies on enzyme inhibition provide valuable data regarding its potential therapeutic effects.

Such studies are crucial for understanding the pharmacodynamics of the compound and guiding further drug development efforts .

Biological Activity of 99991-93-2

Research indicates that 6-amino-5-(butylamino)-1-propylpyrimidine-2,4(1H,3H)-dione exhibits various biological activities. It has been studied for its potential as an inhibitor in enzymatic pathways and its role in cellular signaling processes. Specific biological activities include:

  • Antimicrobial Properties: Preliminary studies suggest that this compound may possess antimicrobial activity against certain bacterial strains.
  • Anticancer Potential: There is emerging evidence supporting its use in cancer therapeutics due to its ability to interfere with tumor cell proliferation.
  • Enzyme Inhibition: The compound may inhibit specific enzymes involved in metabolic pathways, making it a candidate for drug development .