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FU5

Summary
Name:4-[2-chloro-6-(4,4,4-trifluorobutoxy)phenyl]-6-methylpyrimidin-2-amine
Formula:C15 H15 Cl F3 N3 O
Formal charge:0
Formula weight:345.747 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.014-[2-chloro-6-(4,4,4-trifluorobutoxy)phenyl]-6-methylpyrimidin-2-amine
OpenEye OEToolkits1.7.04-[2-chloro-6-(4,4,4-trifluorobutoxy)phenyl]-6-methyl-pyrimidin-2-amine

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01FC(F)(F)CCCOc1c(c(Cl)ccc1)c2nc(nc(c2)C)N
SMILES_CANONICALCACTVS3.370Cc1cc(nc(N)n1)c2c(Cl)cccc2OCCCC(F)(F)F
SMILESCACTVS3.370Cc1cc(nc(N)n1)c2c(Cl)cccc2OCCCC(F)(F)F
SMILES_CANONICALOpenEye OEToolkits1.7.0Cc1cc(nc(n1)N)c2c(cccc2Cl)OCCCC(F)(F)F
SMILESOpenEye OEToolkits1.7.0Cc1cc(nc(n1)N)c2c(cccc2Cl)OCCCC(F)(F)F
InChIInChI1.03InChI=1S/C15H15ClF3N3O/c1-9-8-11(22-14(20)21-9)13-10(16)4-2-5-12(13)23-7-3-6-15(17,18)19/h2,4-5,8H,3,6-7H2,1H3,(H2,20,21,22)
InChIKeyInChI1.03SHQYMCWXQPPEMC-UHFFFAOYSA-N

218500

PDB entries from 2024-04-17

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