6VS

2-~{tert}-butyl-4-(3-methoxypropylamino)-~{N}-(2-methylpropyl)-~{N}-[(3~{S},5~{R})-5-morpholin-4-ylcarbonylpiperidin-3-yl]pyrimidine-5-carboxamide


Toggle HydrogenToggle Labels

Chemical Component Summary

Name2-~{tert}-butyl-4-(3-methoxypropylamino)-~{N}-(2-methylpropyl)-~{N}-[(3~{S},5~{R})-5-morpholin-4-ylcarbonylpiperidin-3-yl]pyrimidine-5-carboxamide
Identifiers2-~{tert}-butyl-4-(3-methoxypropylamino)-~{N}-(2-methylpropyl)-~{N}-[(3~{S},5~{R})-5-morpholin-4-ylcarbonylpiperidin-3-yl]pyrimidine-5-carboxamide
FormulaC27 H46 N6 O4
Molecular Weight518.692
TypeNON-POLYMER
Isomeric SMILESCC(C)CN([C@H]1C[C@H](CNC1)C(=O)N2CCOCC2)C(=O)c3cnc(nc3NCCCOC)C(C)(C)C
InChIInChI=1S/C27H46N6O4/c1-19(2)18-33(21-14-20(15-28-16-21)24(34)32-9-12-37-13-10-32)25(35)22-17-30-26(27(3,4)5)31-23(22)29-8-7-11-36-6/h17,19-21,28H,7-16,18H2,1-6H3,(H,29,30,31)/t20-,21+/m1/s1
InChIKeyISBMTDVOSWIALV-RTWAWAEBSA-N

Chemical Details

Formal Charge0
Atom Count83
Chiral Atom Count2
Bond Count85
Aromatic Bond Count6

Related Resource References

Resource NameReference
Pharos CHEMBL3958809
PubChem 25242438
ChEMBL CHEMBL3958809