CHEBI:114303 - 2-[[6-amino-2-(4-methoxyanilino)-5-nitro-4-pyrimidinyl]amino]ethanol

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ChEBI Name 2-[[6-amino-2-(4-methoxyanilino)-5-nitro-4-pyrimidinyl]amino]ethanol
ChEBI ID CHEBI:114303
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C13H16N6O4
Net Charge 0
Average Mass 320.304
Monoisotopic Mass 320.12330
InChI InChI=1S/C13H16N6O4/c1-23-9-4-2-8(3-5-9)16-13-17-11(14)10(19(21)22)12(18-13)15-6-7-20/h2-5,20H,6-7H2,1H3,(H4,14,15,16,17,18)
InChIKey MIQPRJLDVRECPY-UHFFFAOYSA-N
SMILES COC1=CC=C(C=C1)NC2=NC(=C(C(=N2)NCCO)[N+](=O)[O-])N
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
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ChEBI Ontology
Outgoing 2-[[6-amino-2-(4-methoxyanilino)-5-nitro-4-pyrimidinyl]amino]ethanol (CHEBI:114303) is a methoxybenzenes (CHEBI:51683)
2-[[6-amino-2-(4-methoxyanilino)-5-nitro-4-pyrimidinyl]amino]ethanol (CHEBI:114303) is a substituted aniline (CHEBI:48975)
Manual Xref Database
LSM-25763 LINCS
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