4E8

3-(3-fluorophenyl)-N-{2-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]ethyl}propan-1-amine

Created:2014-10-21
Last modified:  2020-06-05

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Chemical Details

Formal Charge0
Atom Count44
Chiral Atom Count0
Bond Count46
Aromatic Bond Count17
2D diagram of 4E8

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Chemical Component Summary

Name3-(3-fluorophenyl)-N-{2-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]ethyl}propan-1-amine
SynonymsN-2-(2-(1H-imidazol-1-yl)pyrimidin-4-yl)ethyl-3-(3-fluorophenyl)propan-1-amine
Systematic Name (OpenEye OEToolkits)3-(3-fluorophenyl)-N-[2-(2-imidazol-1-ylpyrimidin-4-yl)ethyl]propan-1-amine
FormulaC18 H20 F N5
Molecular Weight325.383
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Fc1cccc(c1)CCCNCCc2nc(ncc2)n3ccnc3
SMILESCACTVS3.385Fc1cccc(CCCNCCc2ccnc(n2)n3ccnc3)c1
SMILESOpenEye OEToolkits1.7.6c1cc(cc(c1)F)CCCNCCc2ccnc(n2)n3ccnc3
Canonical SMILESCACTVS3.385 Fc1cccc(CCCNCCc2ccnc(n2)n3ccnc3)c1
Canonical SMILESOpenEye OEToolkits1.7.6 c1cc(cc(c1)F)CCCNCCc2ccnc(n2)n3ccnc3
InChIInChI1.03 InChI=1S/C18H20FN5/c19-16-5-1-3-15(13-16)4-2-8-20-9-6-17-7-10-22-18(23-17)24-12-11-21-14-24/h1,3,5,7,10-14,20H,2,4,6,8-9H2
InChIKeyInChI1.03 GTABKUMYLUXCIH-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 118656529
ChEMBL CHEMBL3547107