structure of 2-(Isopentylamino)-6-oxo-1,6-dihydropyrimidine-5-carboxylic acid

2-(Isopentylamino)-6-oxo-1,6-dihydropyrimidine-5-carboxylic acid

CAS No.: 100133-67-3
M. Wt: 225.24
M. Fa: C10H15N3O3
InChI Key: ZUVDWOGMSNWVGS-UHFFFAOYSA-N

Names and Identifiers of 100133-67-3

CAS Number

100133-67-3

MDL Number

MFCD17430304

IUPAC Name

2-(3-methylbutylamino)-6-oxo-1H-pyrimidine-5-carboxylic acid

InChI

InChI=1S/C10H15N3O3/c1-6(2)3-4-11-10-12-5-7(9(15)16)8(14)13-10/h5-6H,3-4H2,1-2H3,(H,15,16)(H2,11,12,13,14)

InChIKey

ZUVDWOGMSNWVGS-UHFFFAOYSA-N

Canonical SMILES

CC(C)CCNC1=NC=C(C(=O)N1)C(=O)O

UNSPSC Code

12352100

Physical and chemical properties of 100133-67-3

H Bond Acceptors

5

H Bond Donors

3

LogP

-0.0700111108145207

Molecular Formula

C10H15N3O3

Molecular Weight

225.24

Safety Information of 100133-67-3

Pictograms

Signal Word

 Warning

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

Applications of 100133-67-3

2-(Isopentylamino)-6-oxo-1,6-dihydropyrimidine-5-carboxylic acid has several potential applications:

  • Pharmaceutical Development: As a lead compound for developing new antimicrobial and anticancer drugs.
  • Biochemical Research: Used in studies exploring enzyme inhibition and metabolic pathways.
  • Agricultural Chemistry: Potential use as a biopesticide due to its antimicrobial properties.

Interaction Studies of 100133-67-3

Interaction studies are crucial for understanding how 2-(Isopentylamino)-6-oxo-1,6-dihydropyrimidine-5-carboxylic acid interacts with biological targets:

  • Protein Binding Studies: Investigating how the compound binds to specific proteins can provide insights into its mechanism of action.
  • Cellular Uptake Studies: Understanding how efficiently the compound enters cells can inform its bioavailability and therapeutic potential.
  • Metabolic Studies: Examining how the compound is metabolized within biological systems helps predict its efficacy and safety profile.

Biological Activity of 100133-67-3

Research indicates that 2-(Isopentylamino)-6-oxo-1,6-dihydropyrimidine-5-carboxylic acid exhibits various biological activities, including:

  • Antimicrobial Properties: Studies have shown that derivatives of this compound can inhibit the growth of certain bacteria and fungi, suggesting potential applications in treating infections.
  • Anticancer Activity: Some derivatives have demonstrated cytotoxic effects against cancer cell lines, indicating a possible role in cancer therapy.
  • Enzyme Inhibition: The compound may act as an inhibitor for specific enzymes, which could be beneficial in drug design for various diseases.