structure of 2-Amino-5-cyanopyrrolo[2,3-d]pyrimidine-4-one

2-Amino-5-cyanopyrrolo[2,3-d]pyrimidine-4-one

CAS No.: 1000576-55-5
M. Wt: 173.13200
M. Fa: C7H3N5O
InChI Key: CXOHWJIYWYQKAT-UHFFFAOYSA-N

Names and Identifiers of 1000576-55-5

CAS Number

1000576-55-5

IUPAC Name

2-amino-4-oxopyrrolo[2,3-d]pyrimidine-5-carbonitrile

InChI

InChI=1S/C7H3N5O/c8-1-3-2-10-5-4(3)6(13)12-7(9)11-5/h2H,(H2,9,12,13)

InChIKey

CXOHWJIYWYQKAT-UHFFFAOYSA-N

Canonical SMILES

C1=NC2=NC(=NC(=O)C2=C1C#N)N

Physical and chemical properties of 1000576-55-5

Exact Mass

173.03400

Molecular Formula

C7H3N5O

Molecular Weight

173.13200

PSA

103.96000

Applications of 1000576-55-5

The applications of 2-amino-5-cyanopyrrolo[2,3-d]pyrimidine-4-one are primarily found in medicinal chemistry:

  • Antiviral agents: Its derivatives are being explored for their potential in treating viral infections.
  • Anticancer research: The compound's ability to inhibit tumor growth makes it a candidate for further development in cancer therapies.
  • Biochemical research: It serves as a tool for studying nucleoside metabolism due to its structural similarities with natural nucleosides.

These applications underscore the importance of this compound in drug discovery and development processes.

Interaction Studies of 1000576-55-5

Interaction studies involving 2-amino-5-cyanopyrrolo[2,3-d]pyrimidine-4-one focus on understanding how it interacts with biological macromolecules such as proteins and nucleic acids. Preliminary studies suggest that it may bind to specific enzymes or receptors involved in viral replication or cancer cell proliferation.

Research has indicated that modifications to the amino or cyano groups can significantly alter binding affinity and selectivity towards targets, making it a valuable compound for structure-activity relationship studies in drug design.

Biological Activity of 1000576-55-5

2-Amino-5-cyanopyrrolo[2,3-d]pyrimidine-4-one has been studied for its biological activities, particularly in relation to its potential as an antiviral and anticancer agent. Research indicates that compounds within the pyrrolo[2,3-d]pyrimidine family often exhibit significant biological effects due to their ability to interact with various biological targets.