CHEBI:109564 - 4-(cyclohexylamino)-2-(3,5-dimethyl-1-pyrazolyl)-5-pyrimidinecarboxylic acid ethyl ester

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ChEBI Name 4-(cyclohexylamino)-2-(3,5-dimethyl-1-pyrazolyl)-5-pyrimidinecarboxylic acid ethyl ester
ChEBI ID CHEBI:109564
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C18H25N5O2
Net Charge 0
Average Mass 343.424
Monoisotopic Mass 343.20083
InChI InChI=1S/C18H25N5O2/c1-4-25-17(24)15-11-19-18(23-13(3)10-12(2)22-23)21-16(15)20-14-8-6-5-7-9-14/h10-11,14H,4-9H2,1-3H3,(H,19,20,21)
InChIKey CHDHJASAMSWOTG-UHFFFAOYSA-N
SMILES CCOC(=O)C1=CN=C(N=C1NC2CCCCC2)N3C(=CC(=N3)C)C
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
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ChEBI Ontology
Outgoing 4-(cyclohexylamino)-2-(3,5-dimethyl-1-pyrazolyl)-5-pyrimidinecarboxylic acid ethyl ester (CHEBI:109564) is a pyrimidinecarboxylic acid (CHEBI:78574)
Manual Xref Database
LSM-20992 LINCS
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