structure of 2-(Chloromethyl)-5,6-diphenylfuro[2,3-d]pyrimidin-4-amine

2-(Chloromethyl)-5,6-diphenylfuro[2,3-d]pyrimidin-4-amine

CAS No.: 1000933-67-4
M. Wt: 335.79
M. Fa: C19H14ClN3O
InChI Key: FMEVTKZWXSFLTQ-UHFFFAOYSA-N
Appearance: Pale-yellow Solid

Names and Identifiers of 1000933-67-4

CAS Number

1000933-67-4

IUPAC Name

2-(chloromethyl)-5,6-diphenylfuro[2,3-d]pyrimidin-4-amine

InChI

InChI=1S/C19H14ClN3O/c20-11-14-22-18(21)16-15(12-7-3-1-4-8-12)17(24-19(16)23-14)13-9-5-2-6-10-13/h1-10H,11H2,(H2,21,22,23)

InChIKey

FMEVTKZWXSFLTQ-UHFFFAOYSA-N

Canonical SMILES

C1=CC=C(C=C1)C2=C(OC3=NC(=NC(=C23)N)CCl)C4=CC=CC=C4

Physical and chemical properties of 1000933-67-4

Acidity coefficient

4.22±0.40(Predicted)

Density

1.325±0.06 g/cm3(Predicted)

Molecular Formula

C19H14ClN3O

Molecular Weight

335.79

Applications of 1000933-67-4

2-(Chloromethyl)-5,6-diphenylfuro[2,3-d]pyrimidin-4-amine has several applications:

  • Medicinal Chemistry: As a scaffold for developing new pharmaceuticals targeting cancer and infectious diseases.
  • Research: Used in studies investigating the biological activity of furo-pyrimidine derivatives.
  • Chemical Intermediates: Serves as a precursor for synthesizing other complex organic molecules.

Its diverse applications make it a valuable compound in both academic research and industrial settings.

Interaction Studies of 1000933-67-4

Interaction studies involving 2-(Chloromethyl)-5,6-diphenylfuro[2,3-d]pyrimidin-4-amine have focused on its binding affinity to various biological targets. These studies typically employ techniques such as:

  • Molecular Docking: To predict how the compound interacts with specific proteins or enzymes.
  • In Vitro Assays: To evaluate its efficacy against cancer cell lines or microbial strains.

Results indicate that the compound may exhibit selective interactions that could be leveraged for therapeutic purposes.

Biological Activity of 1000933-67-4

The biological activity of 2-(Chloromethyl)-5,6-diphenylfuro[2,3-d]pyrimidin-4-amine has been explored in various studies. It has shown potential as an anti-cancer agent due to its ability to interact with biological targets involved in cell proliferation and apoptosis. Additionally, preliminary studies suggest it may possess antimicrobial properties, although further investigation is needed to fully elucidate its mechanisms of action and therapeutic potential.