01P

N~2~-[3-methoxy-4-(morpholin-4-yl)phenyl]-N~4~-(quinolin-3-yl)pyrimidine-2,4-diamine

Created:2011-02-17
Last modified:  2021-05-11

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Chemical Details

Formal Charge0
Atom Count56
Chiral Atom Count0
Bond Count60
Aromatic Bond Count23
2D diagram of 01P

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Chemical Component Summary

NameN~2~-[3-methoxy-4-(morpholin-4-yl)phenyl]-N~4~-(quinolin-3-yl)pyrimidine-2,4-diamine
Systematic Name (OpenEye OEToolkits)N2-(3-methoxy-4-morpholin-4-yl-phenyl)-N4-quinolin-3-yl-pyrimidine-2,4-diamine
FormulaC24 H24 N6 O2
Molecular Weight428.486
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01n1c5c(cc(c1)Nc2nc(ncc2)Nc4cc(OC)c(N3CCOCC3)cc4)cccc5
SMILESCACTVS3.370COc1cc(Nc2nccc(Nc3cnc4ccccc4c3)n2)ccc1N5CCOCC5
SMILESOpenEye OEToolkits1.7.0COc1cc(ccc1N2CCOCC2)Nc3nccc(n3)Nc4cc5ccccc5nc4
Canonical SMILESCACTVS3.370 COc1cc(Nc2nccc(Nc3cnc4ccccc4c3)n2)ccc1N5CCOCC5
Canonical SMILESOpenEye OEToolkits1.7.0 COc1cc(ccc1N2CCOCC2)Nc3nccc(n3)Nc4cc5ccccc5nc4
InChIInChI1.03 InChI=1S/C24H24N6O2/c1-31-22-15-18(6-7-21(22)30-10-12-32-13-11-30)28-24-25-9-8-23(29-24)27-19-14-17-4-2-3-5-20(17)26-16-19/h2-9,14-16H,10-13H2,1H3,(H2,25,27,28,29)
InChIKeyInChI1.03 LNEPMZDEABTAPY-UHFFFAOYSA-N

Related Resource References

Resource NameReference
Pharos CHEMBL1738698
PubChem 10202829
ChEMBL CHEMBL1738698
ChEBI CHEBI:90540