6-{[4-{[3-(Methylsulfonyl)benzyl]amino}-5-(trifluoromethyl)-2-pyrimidinyl]amino}-3,4-dihydro-2(1H)-quinolinone | CAS No. 869288-64-2

6-{[4-{[3-(Methylsulfonyl)benzyl]amino}-5-(trifluoromethyl)-2-pyrimidinyl]amino}-3,4-dihydro-2(1H)-quinolinone

Basic Information

CAS Number

869288-64-2

Molecular Formula

C22H20F3N5O3S

Molecular Weight

491.5 g/mol

AD

Basic Physical Properties

Physical State

NA

Density

1.459

Flash Point

110.5±27.3 °C

Solubility

DMSO: ≥20mg/mL

O=C1CCc2c(N1)ccc(c2)Nc1ncc(c(n1)NCc1cccc(c1)S(=O)(=O)C)C(F)(F)F

InChI

InChI=1S/C22H20F3N5O3S/c1-34(32,33)16-4-2-3-13(9-16)11-26-20-17(22(23,24)25)12-27-21(30-20)28-15-6-7-18-14(10-15)5-8-19(31)29-18/h2-4,6-7,9-10,12H,5,8,11H2,1H3,(H,29,31)(H2,26,27,28,30)

InChIKey

HESLKTSGTIBHJU-UHFFFAOYSA-N

LogP

4.139300000000002

Topological Polar Surface Area

113.07999999999998 Ų

Hydrogen Bond Donor/Acceptor

3 / 8

Complexity

822

Safety Information

View Safety Information

Hazard Statement

H301 Toxic if swallowed
Acute toxicity, oral
H319 Causes serious eye irritation
Serious eye damage/eye irritation

Hazard Class

Class 6.1 Class 6.1

Synonyms & References

English

  • PF 573228
  • PF-573228
  • 6-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3,4-dihydro-1H-quinolin-2-one
  • PF-228
  • 6-[4-(3-Methanesulfonyl-benzylamino)-5-trifluoromethyl-pyrimidin-2-ylamino]-3,4-dihydro-1H-quinolin-2-one
  • PF573228
  • 6-(4-(3-(methylsulfonyl)benzylamino)-5-(trifluoromethyl)pyrimidin-2-ylamino)-3,4-dihydroquinolin-2(1H)-one
  • 6-((4-((3-(Methylsulfonyl)benzyl)amino)-5-(trifluoromethyl)pyrimidin-2-yl)amino)-3,4-dihydroquinolin-2(1H)-one
  • 3,4-Dihydro-6-[[4-[[[3-(methylsulfonyl)phenyl]methyl]amino]-5-(trifluoromethyl)-2-pyrimidinyl]amino]-2(1H)-quinolinone
  • 6-[4-(3-Methanesulfonyl-benzylamino)-5-trifluoromethyl-pyrimidin-2-ylamino]-3,4-dihydro-1H-quinolin-2-

MDL Number

MFCD11519967

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