21332-93-4

Basic information

• Product Name: 6-[(3-methylphenyl)amino]pyrimidine-2,4(1H,3H)-dione
• CAS NO: 21332-93-4
• Molecular Formula: C₁₁H₁₁N₃O₂
• Molecular Weight: 217.2239
• Mol File: 21332-93-4.mol
• Article Data: 3

Chemical Properties

• Density: 1.324g/cm³
• Refractive Index: 1.639
• CAS DataBase Reference: 6-[(3-methylphenyl)amino]pyrimidine-2,4(1H,3H)-dione(CAS DataBase Reference)
• NIST Chemistry Reference: 6-[(3-methylphenyl)amino]pyrimidine-2,4(1H,3H)-dione(21332-93-4)
• EPA Substance Registry System: 6-[(3-methylphenyl)amino]pyrimidine-2,4(1H,3H)-dione(21332-93-4)

Safety Data

• Hazardous Substances Data: 21332-93-4(Hazardous Substances Data)

Upstream product

• 873-83-6 4-Amino-2,6-dihydroxypyrimidine 
• 108-44-1 1-amino-3-methylbenzene 
• 4270-27-3 6-chlorouracil 

Downstream Products

• 1079130-19-0 C₃₉H₅₁N₃O₂ 

Relevant articles and documents

Spectroscopy and photophysics of monomethyl-substituted derivatives of 5-deazaalloxazine and 10-ethyl-5-deaza-isoalloxazine

Steady-state and time-resolved spectra were used to describe the singlet and triplet states of 8-methyl-5-deazaalloxazine (8-Me-5-DAll), 9-methyl-5-deazaalloxazine (9-Me-5-DAll) and 10-ethyl-5-deaza-isoalloxazine (10-Et-5-DIAll). Solvatochromic properties were described using different polarity scales, including Δf and the four-parameter scale proposed by Catala?n. The results indicate that the Catala?n scale shows a strong influence of solvent acidity (hydrogen-bond donating ability) on the emission properties of 8-Me-5-DAll and 9-Me-5-DAll. These results indicate the importance of intermolecular solute-solvent hydrogen-bonding interactions in the excited state of these compounds. Contrary to deazaalloxazines, solvent acidity affects the absorption spectra of 10-Et-5-DIAll. Fluorescence lifetimes and quantum yields and also transient absorption spectra were determined for all of the compounds studied. Electronic structure and S 0 -S i, S 0 -T i, T 1 -T i transitions energies and oscillator strengths were calculated using the TD-DFT methods. Theoretical calculations were compared to experimental data.

Synthesis, biological active molecular design, and molecular docking study of novel deazaflavin-cholestane hybrid compounds

Novel deazaflavin-cholestane hybrid compounds, 3′,8′-disubstituted-5′-deazacholest-2,4-dieno[2,3-g]pteridine-2′,4′(3′H,8′H)-diones, have been synthesized by condensation reaction between 6-(monosubstituted amino)-pyrimidin-2,4(1H,3H)-diones and 2-hydroxymethylenecholest-4-en-3-one in presence of p-toluenesulfonic acid monohydrate and diphenyl ether. The antitumor activities against human tumor cell lines (CCRF-HSB-2 and KB cells) have been investigated in vitro, and many of these compounds showed promising antitumor activities. Furthermore, molecular docking study using LigandFit within the software package Discovery Studio 1.7 was done for lead optimization of these compounds as potential PTK inhibitors. In general, all of the synthesized steroid-hybrid compounds showed good binding affinities into PTK (PDB code: 1t46).