structure of 3,4-dihydro-1H-pyrido[1,2-a]pyrimidin-6(2H)-one

3,4-dihydro-1H-pyrido[1,2-a]pyrimidin-6(2H)-one

CAS No.: 1000981-74-7
M. Wt: 150.17800
M. Fa: C8H10N2O
InChI Key: CYRXXOKSUGGUPM-UHFFFAOYSA-N
Appearance: Solid

Names and Identifiers of 1000981-74-7

CAS Number

1000981-74-7

MDL Number

MFCD10699458

IUPAC Name

1,2,3,4-tetrahydropyrido[1,2-a]pyrimidin-6-one

InChI

InChI=1S/C8H10N2O/c11-8-4-1-3-7-9-5-2-6-10(7)8/h1,3-4,9H,2,5-6H2

InChIKey

CYRXXOKSUGGUPM-UHFFFAOYSA-N

Canonical SMILES

C1CNC2=CC=CC(=O)N2C1

UNSPSC Code

12352100

Physical and chemical properties of 1000981-74-7

Density

1.23

Exact Mass

150.07900

H Bond Acceptors

2

H Bond Donors

1

LogP

0.80190

Melting Point

167ºC

Molecular Formula

C8H10N2O

Molecular Weight

150.17800

PSA

34.03000

Safety Information of 1000981-74-7

Pictograms

Signal Word

Warning

Safety Data Sheet

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

Applications of 1000981-74-7

The applications of 3,4-dihydro-1H-pyrido[1,2-a]pyrimidin-6(2H)-one extend across various fields:

  • Pharmaceuticals: Due to its biological activities, it is being investigated as a lead compound for drug development targeting infections and cancers.
  • Agricultural Chemistry: Some derivatives may serve as agrochemicals due to their antimicrobial properties.
  • Material Science: Its unique structural features make it a candidate for developing new materials with specific electronic or optical properties.

Interaction Studies of 1000981-74-7

Interaction studies involving 3,4-dihydro-1H-pyrido[1,2-a]pyrimidin-6(2H)-one have focused on:

  • Protein Binding Studies: Understanding how this compound interacts with biological macromolecules can elucidate its mechanism of action and efficacy as a drug candidate.
  • Receptor Binding Affinity: Investigations into its affinity for various receptors have provided insights into its potential therapeutic uses in neurology and oncology.

Biological Activity of 1000981-74-7

3,4-Dihydro-1H-pyrido[1,2-a]pyrimidin-6(2H)-one exhibits a range of biological activities:

  • Antimicrobial Properties: Some derivatives of this compound have shown significant antimicrobial activity against various pathogens, making them candidates for pharmaceutical development .
  • Anticancer Activity: Research indicates that certain analogs may inhibit cancer cell proliferation, suggesting potential applications in oncology .
  • CNS Activity: Compounds within this class have been studied for their neuroprotective effects, indicating possible uses in treating neurological disorders .

Retrosynthesis analysis of 1000981-74-7

  • Route#1

    Cas:1000981-38-3
    Cas:1000981-74-7
  • Route#2

    Cas:1000981-59-8
    Cas:1000981-74-7
  • Route#3

    Cas:1000981-95-2
    Cas:1000981-74-7