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7IG

Summary
Name:5-{4-[(3,5-DIFLUOROBENZYL)AMINO]PHENYL}-6-ETHYLPYRIMIDINE-2,4-DIAMINE
Formula:C19 H19 F2 N5
Formal charge:0
Formula weight:355.384 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.045-{4-[(3,5-difluorobenzyl)amino]phenyl}-6-ethylpyrimidine-2,4-diamine
OpenEye OEToolkits1.5.05-[4-[(3,5-difluorophenyl)methylamino]phenyl]-6-ethyl-pyrimidine-2,4-diamine

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04Fc1cc(cc(F)c1)CNc3ccc(c2c(nc(nc2CC)N)N)cc3
SMILES_CANONICALCACTVS3.341CCc1nc(N)nc(N)c1c2ccc(NCc3cc(F)cc(F)c3)cc2
SMILESCACTVS3.341CCc1nc(N)nc(N)c1c2ccc(NCc3cc(F)cc(F)c3)cc2
SMILES_CANONICALOpenEye OEToolkits1.5.0CCc1c(c(nc(n1)N)N)c2ccc(cc2)NCc3cc(cc(c3)F)F
SMILESOpenEye OEToolkits1.5.0CCc1c(c(nc(n1)N)N)c2ccc(cc2)NCc3cc(cc(c3)F)F
InChIInChI1.03InChI=1S/C19H19F2N5/c1-2-16-17(18(22)26-19(23)25-16)12-3-5-15(6-4-12)24-10-11-7-13(20)9-14(21)8-11/h3-9,24H,2,10H2,1H3,(H4,22,23,25,26)
InChIKeyInChI1.03SRRWXMSVQYQCRX-UHFFFAOYSA-N

219869

PDB entries from 2024-05-15

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