5-[4,6-Di(4-morpholinyl)-1,3,5-triazin-2-yl]-4-(trifluoromethyl)-2(1H)-pyridinimine | CAS No. 1225037-39-7

5-[4,6-Di(4-morpholinyl)-1,3,5-triazin-2-yl]-4-(trifluoromethyl)-2(1H)-pyridinimine

Basic Information

CAS Number

1225037-39-7

Molecular Formula

C17H20F3N7O2

Molecular Weight

411.39 g/mol

AD

Basic Physical Properties

Boiling Point

643.7±65.0°C at 760 mmHg

N=c1[nH]cc(c(c1)C(F)(F)F)c1nc(nc(n1)N1CCOCC1)N1CCOCC1

InChI

InChI=1S/C17H20F3N7O2/c18-17(19,20)12-9-13(21)22-10-11(12)14-23-15(26-1-5-28-6-2-26)25-16(24-14)27-3-7-29-8-4-27/h9-10H,1-8H2,(H2,21,22)

InChIKey

ADGGYDAFIHSYFI-UHFFFAOYSA-N

LogP

1.0381699999999998

Topological Polar Surface Area

103.25 Ų

Hydrogen Bond Donor/Acceptor

2 / 9

Complexity

506

Safety Information

View Safety Information

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral
H315 Causes skin irritation
Skin corrosion/irritation
H319 Causes serious eye irritation
Serious eye damage/eye irritation
H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

  • PI3K-IN-2
  • 5-(4,6-dimorpholino-1,3,5-triazin-2-yl)-4-(trifluoromethyl)pyridin-2-amine
  • Bimiralisib
  • PQR 309
  • PQR-309
  • PQR309
  • 6Z3QHB00LB
  • 5-[bis(morpholin-4-yl)-1,3,5-triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine
  • 5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-4-(trifluoromethyl)pyridin-2-amine
  • pqr309-bimiralisib
  • Bimiralisib [INN]
  • Bimiralisib [USAN]
  • PQR309; Bimiralisib
  • Bimiralisib [WHO-DD]
  • NCB5
  • Bimiralisib (PQR309)
  • Bimiralisib (USAN/INN)
  • GTPL8383
  • PQR309; Bimiralisib f

MDL Number

MFCD28902193

FAQ

What are the physical and chemical properties of 5-[4,6-Di(4-morpholinyl)-1,3,5-triazin-2-yl]-4-(trifluoromethyl)-2(1H)-pyridinimine (CAS: 1225037-39-7)?

5-[4,6-Di(4-morpholinyl)-1,3,5-triazin-2-yl]-4-(trifluoromethyl)-2(1H)-pyridinimine is a crystalline compound with a molecular weight of approximately 547.48 g/mol. It has low water solubility and good solubility in organic solvents like DMSO and DMF. It exhibits high thermal stability and moderate reactivity in certain chemical transformations.

How is 5-[4,6-Di(4-morpholinyl)-1,3,5-triazin-2-yl]-4-(trifluoromethyl)-2(1H)-pyridinimine (CAS: 1225037-39-7) typically synthesized?

This compound is typically synthesized through a multi-step process involving the reaction of 4,6-bis(4-morpholinyl)-1,3,5-triazine with 4-(trifluoromethyl)-2(1H)-pyridinimine under basic conditions. The synthesis involves the use of catalysts like sodium hydride and requires careful control of reaction temperature and time for high yield and selectivity.

What industries use 5-[4,6-Di(4-morpholinyl)-1,3,5-triazin-2-yl]-4-(trifluoromethyl)-2(1H)-pyridinimine (CAS: 1225037-39-7)?

5-[4,6-Di(4-morpholinyl)-1,3,5-triazin-2-yl]-4-(trifluoromethyl)-2(1H)-pyridinimine is used in various industries, particularly in pharmaceuticals for its potential in drug discovery and development. It also finds applications in the synthesis of organic semiconductors and as a precursor in the production of advanced polymers and sensors.

What precautions should be taken when handling 5-[4,6-Di(4-morpholinyl)-1,3,5-triazin-2-yl]-4-(trifluoromethyl)-2(1H)-pyridinimine (CAS: 1225037-39-7)?

When handling 5-[4,6-Di(4-morpholinyl)-1,3,5-triazin-2-yl]-4-(trifluoromethyl)-2(1H)-pyridinimine, it is essential to use proper personal protective equipment (PPE) such as gloves, goggles, and lab coats. Work should be conducted in a well-ventilated fume hood to minimize exposure. Spills should be cleaned up with care, and the material safety data sheet (MSDS) or SDS should be consulted for detailed spill cleanup procedures and emergency response guidelines.

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