CHEBI:133239 - N-[(1R,2S)-2,6-dimethyindan-1-yl]-6-[(1S)-1-fluoroethyl]-1,3,5-triazine-2,4-diamine

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ChEBI Name N-[(1R,2S)-2,6-dimethyindan-1-yl]-6-[(1S)-1-fluoroethyl]-1,3,5-triazine-2,4-diamine ChEBI ID CHEBI:133239 ChEBI ASCII Name N-[(1R,2S)-2,6-dimethyindan-1-yl]-6-[(1S)-1-fluoroethyl]-1,3,5-triazine-2,4-diamine Definition An N-(2,6-dimethylindan-1-yl)-6-(1-fluoroethyl)-1,3,5-triazine-2,4-diamine in which the indane moiety has 1R,2S configuration and the fluoroethyl substituent has S configuration. A cellulose biosynthesis inhibitor, it is the minor component of the herbicide indaziflam. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C16H20FN5 Net Charge 0 Average Mass 301.363 Monoisotopic Mass 301.17027 InChI InChI=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)/t9-,10-,13+/m0/s1 InChIKey YFONKFDEZLYQDH-OUJBWJOFSA-N SMILES N1=C(N=C(N=C1[C@H](C)F)N)N[C@@]2([C@H](CC3=C2C=C(C=C3)C)C)[H] Roles Classification Chemical Role(s): Bronsted base A molecular entity capable of accepting a hydron from a donor (Bronsted acid). (via organic amino compound ) Biological Role(s): cellulose synthesis inhibitor An pathway inhibitor that inhibits the synthesis of cellulose. Application(s): herbicide A substance used to destroy plant pests. View more via ChEBI Ontology ChEBI Ontology Outgoing N-[(1R,2S)-2,6-dimethyindan-1-yl]-6-[(1S)-1-fluoroethyl]-1,3,5-triazine-2,4-diamine (CHEBI:133239) has role cellulose synthesis inhibitor (CHEBI:63958) N-[(1R,2S)-2,6-dimethyindan-1-yl]-6-[(1S)-1-fluoroethyl]-1,3,5-triazine-2,4-diamine (CHEBI:133239) has role herbicide (CHEBI:24527) 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) Incoming indaziflam (CHEBI:133237) has part N-[(1R,2S)-2,6-dimethyindan-1-yl]-6-[(1S)-1-fluoroethyl]-1,3,5-triazine-2,4-diamine (CHEBI:133239) IUPAC Name N-[(1R,2S)-2,6-dimethyl-2,3-dihydro-1H-inden-1-yl]-6-[(1S)-1-fluoroethyl]-1,3,5-triazine-2,4-diamine Synonym Source indaziflam (minor isomer) ChEBI Registry Numbers Types Sources 12024777 Reaxys Registry Number Reaxys 730979-32-5 CAS Registry Number ChEBI Last Modified 31 October 2016