UMT

4-[4-[2-(1~{H}-indol-3-yl)ethyl]pyrimidin-2-yl]morpholine

Created: 2021-03-02
Last modified:  2022-02-02

Find related ligands:

Chemical Details

Formal Charge0
Atom Count43
Chiral Atom Count0
Bond Count46
Aromatic Bond Count16
2D diagram of UMT

Chemical Component Summary

Name4-[4-[2-(1~{H}-indol-3-yl)ethyl]pyrimidin-2-yl]morpholine
Systematic Name (OpenEye OEToolkits)4-[4-[2-(1~{H}-indol-3-yl)ethyl]pyrimidin-2-yl]morpholine
FormulaC18 H20 N4 O
Molecular Weight308.378
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESCACTVS3.385C1CN(CCO1)c2nccc(CCc3c[nH]c4ccccc34)n2
SMILESOpenEye OEToolkits2.0.7c1ccc2c(c1)c(c[nH]2)CCc3ccnc(n3)N4CCOCC4
Canonical SMILESCACTVS3.385 C1CN(CCO1)c2nccc(CCc3c[nH]c4ccccc34)n2
Canonical SMILESOpenEye OEToolkits2.0.7 c1ccc2c(c1)c(c[nH]2)CCc3ccnc(n3)N4CCOCC4
InChIInChI1.03 InChI=1S/C18H20N4O/c1-2-4-17-16(3-1)14(13-20-17)5-6-15-7-8-19-18(21-15)22-9-11-23-12-10-22/h1-4,7-8,13,20H,5-6,9-12H2
InChIKeyInChI1.03 UEMXDZGQUZIRAH-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 162423100