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CHEBI:133240 - N-(2,6-dimethylindan-1-yl)-6-(1-fluoroethyl)-1,3,5-triazine-2,4-diamine

Default Structure
ChEBI IDCHEBI:133240
ChEBI NameN-(2,6-dimethylindan-1-yl)-6-(1-fluoroethyl)-1,3,5-triazine-2,4-diamine
Stars
ASCII NameN-(2,6-dimethylindan-1-yl)-6-(1-fluoroethyl)-1,3,5-triazine-2,4-diamine
DefinitionA member of the class of indanes that is 2,5-dimethylindane in which the hydrogen at position 3 has been replaced by one of the primary amino groups of 6-(1-fluoroethyl)-1,3,5-triazine-2,4-diamine.
Last Modified30 October 2016
SubmitterGareth Owen
DownloadsMolfile
FormulaC16H20FN5
Net Charge0
Average Mass301.369
Monoisotopic Mass301.17027
SMILESCc1ccc2c(c1)C(Nc1nc(N)nc(C(C)F)n1)C(C)C2
InChIInChI=1S/C16H20FN5/c1-8-4-5-11-7-9(2)13(12(11)6-8)19-16-21-14(10(3)17)20-15(18)22-16/h4-6,9-10,13H,7H2,1-3H3,(H3,18,19,20,21,22)
InChIKeyYFONKFDEZLYQDH-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
N-(2,6-dimethylindan-1-yl)-6-(1-fluoroethyl)-1,3,5-triazine-2,4-diamine (CHEBI:133240) is a diamino-1,3,5-triazine (CHEBI:38170)
N-(2,6-dimethylindan-1-yl)-6-(1-fluoroethyl)-1,3,5-triazine-2,4-diamine (CHEBI:133240) is a indanes (CHEBI:46940)
N-(2,6-dimethylindan-1-yl)-6-(1-fluoroethyl)-1,3,5-triazine-2,4-diamine (CHEBI:133240) is a organofluorine compound (CHEBI:37143)
N-(2,6-dimethylindan-1-yl)-6-(1-fluoroethyl)-1,3,5-triazine-2,4-diamine (CHEBI:133240) is a secondary amino compound (CHEBI:50995)
Incoming Relation(s)
N-[(1R,2S)-2,6-dimethyindan-1-yl]-6-[(1R)-1-fluoroethyl]-1,3,5-triazine-2,4-diamine (CHEBI:133238) is a N-(2,6-dimethylindan-1-yl)-6-(1-fluoroethyl)-1,3,5-triazine-2,4-diamine (CHEBI:133240)
N-[(1R,2S)-2,6-dimethyindan-1-yl]-6-[(1S)-1-fluoroethyl]-1,3,5-triazine-2,4-diamine (CHEBI:133239) is a N-(2,6-dimethylindan-1-yl)-6-(1-fluoroethyl)-1,3,5-triazine-2,4-diamine (CHEBI:133240)
IUPAC Name 
N-(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)-6-(1-fluoroethyl)-1,3,5-triazine-2,4-diamine