CG0

N4-cyclopropyl-5-ethyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine

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

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Chemical Details

Formal Charge0
Atom Count44
Chiral Atom Count0
Bond Count46
Aromatic Bond Count6
2D diagram of CG0

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Chemical Component Summary

NameN4-cyclopropyl-5-ethyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine
Systematic Name (OpenEye OEToolkits)~{N}4-cyclopropyl-5-ethyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine
FormulaC14 H24 N6
Molecular Weight276.381
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESCACTVS3.385CCc1c(NC2CC2)nc(N)nc1N3CCN(C)CC3
SMILESOpenEye OEToolkits2.0.6CCc1c(nc(nc1N2CCN(CC2)C)N)NC3CC3
Canonical SMILESCACTVS3.385 CCc1c(NC2CC2)nc(N)nc1N3CCN(C)CC3
Canonical SMILESOpenEye OEToolkits2.0.6 CCc1c(nc(nc1N2CCN(CC2)C)N)NC3CC3
InChIInChI1.03 InChI=1S/C14H24N6/c1-3-11-12(16-10-4-5-10)17-14(15)18-13(11)20-8-6-19(2)7-9-20/h10H,3-9H2,1-2H3,(H3,15,16,17,18)
InChIKeyInChI1.03 UGBSJHLIBQEGBQ-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 154815494