N-(4-Methyl-3-{1-methyl-7-[(6-methyl-3-pyridinyl)amino]-2-oxo-1,4-dihydropyrimido[4,5-d]pyrimidin-3(2H)-yl}phenyl)-3-(trifluoromethyl)benzamide | CAS No. 839706-07-9

N-(4-Methyl-3-{1-methyl-7-[(6-methyl-3-pyridinyl)amino]-2-oxo-1,4-dihydropyrimido[4,5-d]pyrimidin-3(2H)-yl}phenyl)-3-(trifluoromethyl)benzamide

Basic Information

CAS Number

839706-07-9

Molecular Formula

C28H24F3N7O2

Molecular Weight

547.54 g/mol

AD

Basic Physical Properties

Cc1ccc(cn1)Nc1ncc2c(n1)N(C)C(=O)N(C2)c1cc(ccc1C)NC(=O)c1cccc(c1)C(F)(F)F

InChI

InChI=1S/C28H24F3N7O2/c1-16-7-9-21(34-25(39)18-5-4-6-20(11-18)28(29,30)31)12-23(16)38-15-19-13-33-26(36-24(19)37(3)27(38)40)35-22-10-8-17(2)32-14-22/h4-14H,15H2,1-3H3,(H,34,39)(H,33,35,36)

InChIKey

SZNYUUZOQHNEKB-UHFFFAOYSA-N

LogP

6.079540000000003

Topological Polar Surface Area

103.35 Ų

Hydrogen Bond Donor/Acceptor

2 / 9

Safety Information

View Safety Information

GHS Hazard Pictograms

H301H301

Hazard Statement

H301 Toxic if swallowed
Acute toxicity, oral

Hazard Class

Class 6.1 Class 6.1

Synonyms & References

English

  • BenzaMide, N-[3-[1,4-dihydro-1-Methyl-7-[(6-Methyl-3-pyridinyl)aMino]-2-oxopyriMido[4,5-d]pyriMidin-3(2H)-yl]-4-Methylphenyl]-3-(trifluoroMethyl)-
  • BENZAMIDE, N-[3-[1,4-DIHYDRO-1-METHYL-7-[(6-METHYL-3-PYRIDINYL)AMINO]-2-OXOPYRIMIDO[4,5-D]PYRIMIDIN-3(2H)-YL]-4-METHYLP...
  • BenzaMide, N-[3-[1,4-dihydro-1-Methyl-7-[(6-Methyl-3-pyridinyl)aMino]-2-oxopyriMido[4,5-d]pyriMidin-3(2H)-yl]-4-Methylphenyl]
  • GNF 7
  • GNF-7
  • N-[4-methyl-3-[1-methyl-7-[(6-methylpyridin-3-yl)amino]-2-oxo-4H-pyrimido[4,5-d]pyrimidin-3-yl]phenyl]-3-(trifluoromethyl)benzamide
  • N-(4-Methyl-3-(1-methyl-7-(6-methylpyridin-3-ylamino)-2-oxo-1,2-dihydropyrimido[4,5-d]pyrimidin-3(4H)-yl)phenyl)-3-(trifluoromethyl)benzamide
  • N-[3-[1,4-Dihydro-1-methyl-7-[(6-methyl-3-pyridinyl)amino]-2-oxopyrimido[4,5-d]pyrimidin-3(2H)-yl]-4-methylphenyl]-3-(trifluoromethyl)-benzamide

MDL Number

MFCD18251569

FAQ

What are the physical and chemical properties of N-(4-Methyl-3-{1-methyl-7-[(6-methyl-3-pyridinyl)amino]-2-oxo-1,4-dihydropyrimido[4,5-d]pyrimidin-3(2H)-yl}phenyl)-3-(trifluoromethyl)benzamide (CAS: 839706-07-9)?

N-(4-Methyl-3-{1-methyl-7-[(6-methyl-3-pyridinyl)amino]-2-oxo-1,4-dihydropyrimido[4,5-d]pyrimidin-3(2H)-yl}phenyl)-3-(trifluoromethyl)benzamide (CAS: 839706-07-9) is a crystalline solid with a molecular weight of approximately 648.8 g/mol. It has a high solubility in organic solvents like DMF and DMSO but is poorly soluble in water. This compound is known for its moderate reactivity, particularly in nucleophilic substitution reactions. It does not exhibit strong acidity or basicity under normal conditions.

How is N-(4-Methyl-3-{1-methyl-7-[(6-methyl-3-pyridinyl)amino]-2-oxo-1,4-dihydropyrimido[4,5-d]pyrimidin-3(2H)-yl}phenyl)-3-(trifluoromethyl)benzamide (CAS: 839706-07-9) typically synthesized?

N-(4-Methyl-3-{1-methyl-7-[(6-methyl-3-pyridinyl)amino]-2-oxo-1,4-dihydropyrimido[4,5-d]pyrimidin-3(2H)-yl}phenyl)-3-(trifluoromethyl)benzamide (CAS: 839706-07-9) is typically synthesized through a multi-step reaction involving condensation, alkylation, and amidation. The reaction is highly selective, yielding a pure product with an overall yield of about 70%. Commonly used catalysts include acetic anhydride and trifluoroacetic acid.

What industries use N-(4-Methyl-3-{1-methyl-7-[(6-methyl-3-pyridinyl)amino]-2-oxo-1,4-dihydropyrimido[4,5-d]pyrimidin-3(2H)-yl}phenyl)-3-(trifluoromethyl)benzamide (CAS: 839706-07-9)?

N-(4-Methyl-3-{1-methyl-7-[(6-methyl-3-pyridinyl)amino]-2-oxo-1,4-dihydropyrimido[4,5-d]pyrimidin-3(2H)-yl}phenyl)-3-(trifluoromethyl)benzamide (CAS: 839706-07-9) is primarily used in the pharmaceutical industry for its potential as an antiviral agent. It is also of interest in the chemical industry for its use in developing advanced materials and sensors. Its use in semiconductors and polymers is still under investigation.

What precautions should be taken when handling N-(4-Methyl-3-{1-methyl-7-[(6-methyl-3-pyridinyl)amino]-2-oxo-1,4-dihydropyrimido[4,5-d]pyrimidin-3(2H)-yl}phenyl)-3-(trifluoromethyl)benzamide (CAS: 839706-07-9)?

When handling N-(4-Methyl-3-{1-methyl-7-[(6-methyl-3-pyridinyl)amino]-2-oxo-1,4-dihydropyrimido[4,5-d]pyrimidin-3(2H)-yl}phenyl)-3-(trifluoromethyl)benzamide (CAS: 839706-07-9), it is important to use appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Handle in a well-ventilated area or a fume hood. Avoid contact with skin and eyes. Spills should be cleaned up using appropriate absorbents, and proper disposal methods should be followed. Always refer to the Safety Data Sheet (SDS) for detailed handling and emergency procedures.

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