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CHEBI:38286 - 1-[(2,4-diamino-6-methylpyrimidin-5-yl)methyl]-1,2-dicarba-closo-dodecaborane(12)

ChEBI IDCHEBI:38286
ChEBI Name1-[(2,4-diamino-6-methylpyrimidin-5-yl)methyl]-1,2-dicarba-closo-dodecaborane(12)
Stars
ASCII Name1-[(2,4-diamino-6-methylpyrimidin-5-yl)methyl]-1,2-dicarba-closo-dodecaborane(12)
Last Modified21 May 2007
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC8H20B10N4
Net Charge0
Average Mass280.396
Monoisotopic Mass282.26185
SMILES[H]B1234B567([H])B189([H])B21%10([H])B32%11([H])B453([H])B645([H])B786([H])B917([H])C%1021([H])B3%114([H])C6571Cc1c(C)nc(N)nc1N
InChIInChI=1S/C8H20B10N4/c1-3-4(5(19)22-6(20)21-3)2-8-7-9(8)11(7)12(7)10(7,8)14(8)13(8,9)15(9,11)17(11,12)16(10,12,14)18(13,14,15)17/h7,9-18H,2H2,1H3,(H4,19,20,21,22)
InChIKeyKWXMVDFGVQUJHY-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)
1-[(2,4-diamino-6-methylpyrimidin-5-yl)methyl]-1,2-dicarba-closo-dodecaborane(12) (CHEBI:38286) has parent hydride closo-1,2-dicarbadodecaborane(12) (CHEBI:38283)
1-[(2,4-diamino-6-methylpyrimidin-5-yl)methyl]-1,2-dicarba-closo-dodecaborane(12) (CHEBI:38286) is a aminopyrimidine (CHEBI:38338)
IUPAC Name 
5-{[1,2-dicarba-closo-dodecaboran(12)-1-yl]methyl}-6-methylpyrimidine-2,4-diamine
Synonym  Source
2,4-DIAMINO-5-(1-O-CARBORANYLMETHYL)-6-METHYLPYRIMIDINEPDBeChem
Manual XrefsDatabases
34BPDBeChem