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CHEBI:38348 - 7-[(2,4-diamino-6-methylpyrimidin-5-yl)methyl]-7,8-dicarba-nido-undecaborane(11)

ChEBI IDCHEBI:38348
ChEBI Name7-[(2,4-diamino-6-methylpyrimidin-5-yl)methyl]-7,8-dicarba-nido-undecaborane(11)
Stars
ASCII Name7-[(2,4-diamino-6-methylpyrimidin-5-yl)methyl]-7,8-dicarba-nido-undecaborane(11)
DefinitionAn aminopyrimidine that consists of 7,8-dicarba-nido-undecaborane(11) bearing a (2,4-diamino-6-methylpyrimidin-5-yl)methyl substituent at position 7.
Last Modified11 January 2012
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC8H19B9N4
Net Charge0
Average Mass268.576
Monoisotopic Mass270.24472
SMILES[H]B123B45([H])C67([H])C89(Cc%10c(C)nc(N)nc%10N)B1%10([H])B21%11([H])B342([H])B563([H])B784([H])B%1091([H])B2%1134[H]
InChIInChI=1S/C8H19B9N4/c1-3-4(5(18)21-6(19)20-3)2-8-7-9-11-10(8)14(8)12(7,8)13(7,9)15(9,11)16(10,11,14)17(12,13,14)15/h7,9-17H,2H2,1H3,(H4,18,19,20,21)
InChIKeyXVJDFUQURIHDSJ-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)
7-[(2,4-diamino-6-methylpyrimidin-5-yl)methyl]-7,8-dicarba-nido-undecaborane(11) (CHEBI:38348) has parent hydride 7,8-dicarba-nido-undecaborane(11) (CHEBI:38293)
7-[(2,4-diamino-6-methylpyrimidin-5-yl)methyl]-7,8-dicarba-nido-undecaborane(11) (CHEBI:38348) is a aminopyrimidine (CHEBI:38338)
Incoming Relation(s)
(7R)-7-[(2,4-diamino-6-methylpyrimidin-5-yl)methyl]-7,8-dicarba-nido-undecaborane(11) (CHEBI:38349) is a 7-[(2,4-diamino-6-methylpyrimidin-5-yl)methyl]-7,8-dicarba-nido-undecaborane(11) (CHEBI:38348)
(7S)-7-[(2,4-diamino-6-methylpyrimidin-5-yl)methyl]-7,8-dicarba-nido-undecaborane(11) (CHEBI:38350) is a 7-[(2,4-diamino-6-methylpyrimidin-5-yl)methyl]-7,8-dicarba-nido-undecaborane(11) (CHEBI:38348)
IUPAC Name 
5-{[7,8-dicarba-nido-undecaborane(11)-7-yl]methyl}-6-methylpyrimidine-2,4-diamine