bupirimate

Synonyms: "nimrod", "nimrod T", "bupirimate"

Source: bupirimate is a pyrimidine fungicide with a protective and curative activity for the control of fungal diseases.

Identifiers:

IUPAC Name: [5-butyl-2-(ethylamino)-6-methylpyrimidin-4-yl] N,N-dimethylsulfamate
CAS Number: 41483-43-6
PubChem ID: 38884
InChiKey: DSKJPMWIHSOYEA-UHFFFAOYSA-N
Canonical SMILES: CCCCC1=C(N=C(N=C1OS(=O)(=O)N(C)C)NCC)C

Structural Properties:

Molecular Formula: C₁₃H₂₄N₄O₃S
Molecular Weight: 316.420

Pharmacophore Features:

Number of bond donors: 1
Number of bond acceptors: 6
Number of atoms different from hydrogen: 21

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3D structure (.sdf)
3D structure (.mol2)
3D structure (.pdb)
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Evidence Supporting This Chemical as an Endocrine Disruptor
TEDX List of Potential Endocrine Disruptors

Lemaire G, Mnif W, Pascussi JM, Pillon A, Rabenoelina F, Fenet H, Gomez E, Casellas C, Nicolas JC, Cavailles V, Duchesne MJ, Balaguer P. 2006. Identification of new human pregnane X receptor ligands among pesticides using a stable reporter cell system. Toxicol Sci 91(2):501-509.