CJL

N4-cyclopropyl-6-[4-(oxetan-3-yl)piperazin-1-yl]pyrimidine-2,4-diamine

Created:2019-04-24
Last modified:  2020-10-28

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Chemical Details

Formal Charge0
Atom Count43
Chiral Atom Count0
Bond Count46
Aromatic Bond Count6
2D diagram of CJL

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Chemical Component Summary

NameN4-cyclopropyl-6-[4-(oxetan-3-yl)piperazin-1-yl]pyrimidine-2,4-diamine
Systematic Name (OpenEye OEToolkits)~{N}4-cyclopropyl-6-[4-(oxetan-3-yl)piperazin-1-yl]pyrimidine-2,4-diamine
FormulaC14 H22 N6 O
Molecular Weight290.364
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESCACTVS3.385Nc1nc(NC2CC2)cc(n1)N3CCN(CC3)C4COC4
SMILESOpenEye OEToolkits2.0.6c1c(nc(nc1N2CCN(CC2)C3COC3)N)NC4CC4
Canonical SMILESCACTVS3.385 Nc1nc(NC2CC2)cc(n1)N3CCN(CC3)C4COC4
Canonical SMILESOpenEye OEToolkits2.0.6 c1c(nc(nc1N2CCN(CC2)C3COC3)N)NC4CC4
InChIInChI1.03 InChI=1S/C14H22N6O/c15-14-17-12(16-10-1-2-10)7-13(18-14)20-5-3-19(4-6-20)11-8-21-9-11/h7,10-11H,1-6,8-9H2,(H3,15,16,17,18)
InChIKeyInChI1.03 ZGLBWQVKOMHGIB-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 154815499