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

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ChEBI Name 7-[(2,4-diamino-6-methylpyrimidin-5-yl)methyl]-7,8-dicarba-nido-undecaborane(11)
ChEBI ID CHEBI:38348
ChEBI ASCII Name 7-[(2,4-diamino-6-methylpyrimidin-5-yl)methyl]-7,8-dicarba-nido-undecaborane(11)
Definition An aminopyrimidine that consists of 7,8-dicarba-nido-undecaborane(11) bearing a (2,4-diamino-6-methylpyrimidin-5-yl)methyl substituent at position 7.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C8H19B9N4
Net Charge 0
Average Mass 268.56242
Monoisotopic Mass 270.24472
InChI InChI=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)
InChIKey XVJDFUQURIHDSJ-UHFFFAOYSA-N
SMILES [H][B]123[B]45([H])[C]67([H])[C]89(Cc%10c(C)nc(N)nc%10N)[B]11([H])[B]22%10([H])[B]343([H])[B]564([H])[B]785([H])[B]912([H])[B]%10345[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 )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 (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
Last Modified
11 January 2012