CHEBI:91406 - 5-chloro-N2-[1-(5-fluoro-2-pyrimidinyl)ethyl]-N4-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine

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ChEBI Name 5-chloro-N2-[1-(5-fluoro-2-pyrimidinyl)ethyl]-N4-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
ChEBI ID CHEBI:91406
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C14H14ClFN8
Net Charge 0
Average Mass 348.766
Monoisotopic Mass 348.10140
InChI InChI=1S/C14H14ClFN8/c1-7-3-11(24-23-7)21-13-10(15)6-19-14(22-13)20-8(2)12-17-4-9(16)5-18-12/h3-6,8H,1-2H3,(H3,19,20,21,22,23,24)
InChIKey PDOQBOJDRPLBQU-UHFFFAOYSA-N
SMILES CC1=CC(=NN1)NC2=NC(=NC=C2Cl)NC(C)C3=NC=C(C=N3)F
ChEBI Ontology
Outgoing 5-chloro-N2-[1-(5-fluoro-2-pyrimidinyl)ethyl]-N4-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine (CHEBI:91406) is a organohalogen compound (CHEBI:17792)
5-chloro-N2-[1-(5-fluoro-2-pyrimidinyl)ethyl]-N4-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine (CHEBI:91406) is a pyrimidines (CHEBI:39447)
Manual Xref Database
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