structure of Ethyl 4-[4-(tert-butyl)phenyl]-1,6-dimethyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate

Ethyl 4-[4-(tert-butyl)phenyl]-1,6-dimethyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate

CAS No.: 1000927-59-2
M. Wt: 330.42
M. Fa: C19H26N2O3
InChI Key: JUMNDMNNZVEUNH-UHFFFAOYSA-N

Names and Identifiers of 1000927-59-2

CAS Number

1000927-59-2

MDL Number

MFCD10543515

IUPAC Name

ethyl 4-(4-tert-butylphenyl)-1,6-dimethyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

InChI

InChI=1S/C19H26N2O3/c1-7-24-17(22)15-12(2)21(6)18(23)20-16(15)13-8-10-14(11-9-13)19(3,4)5/h8-11,16H,7H2,1-6H3,(H,20,23)

InChIKey

JUMNDMNNZVEUNH-UHFFFAOYSA-N

Canonical SMILES

CCOC(=O)C1=C(C)N(C)C(=O)NC1C1=CC=C(C(C)(C)C)C=C1

UNSPSC Code

12352100

Physical and chemical properties of 1000927-59-2

Boiling Point

496.3±45.0 °C(Predicted)

Density

1.085±0.06 g/cm3(Predicted)

H Bond Acceptors

2

H Bond Donors

1

LogP

3.00903469133333

Melting Point

160-162°

Molecular Formula

C19H26N2O3

Molecular Weight

330.42

Safety Information of 1000927-59-2

Pictograms

Signal Word

 Warning

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

Applications of 1000927-59-2

This compound has potential applications in:

  • Pharmaceuticals: Due to its biological activity, it may serve as a lead compound for developing new drugs targeting infections or inflammatory diseases.
  • Research: It can be utilized in biochemical assays to study enzyme interactions or cellular responses.
  • Agricultural chemicals: If antimicrobial properties are confirmed, it could be explored as a pesticide or fungicide.

Interaction Studies of 1000927-59-2

Interaction studies involving Ethyl 4-[4-(tert-butyl)phenyl]-1,6-dimethyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate focus on its binding affinity with biological targets such as enzymes and receptors. Preliminary data suggest that it may interact with specific proteins involved in metabolic pathways or disease processes. Further investigations using techniques like molecular docking and kinetic assays will provide insights into these interactions.

Biological Activity of 1000927-59-2

Ethyl 4-[4-(tert-butyl)phenyl]-1,6-dimethyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate has shown promising biological activities in preliminary studies. It may exhibit:

  • Antimicrobial properties: Some pyrimidine derivatives are known for their ability to inhibit bacterial growth.
  • Anti-inflammatory effects: Compounds with similar structures have been investigated for their potential to reduce inflammation.
  • Antitumor activity: Certain modifications of pyrimidine compounds are recognized for their ability to inhibit cancer cell proliferation.

Further studies are necessary to elucidate the specific mechanisms of action and therapeutic potential of this compound.