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Bupirimate

CAT: 0013-GTR19201876-05Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19201876-05Size:500 mg
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Description
Bupirimate is a systemic pyrimidine fungicide used in agricultural research, primarily for controlling powdery mildew in crops like apples and roses. Its mode of action and efficacy are studied in both in vitro assays and in vivo plant protection experiments.
CAS Number
41483-43-6
Product Name Alternative
Nimrod, Bupirimate, Antifungal
Field of Research
Infectious Disease & Virology, Metabolism Research
Purity
99.42% (May vary between batches)
Solubility
DMSO:3.6 mg/mL (11.38 mM)
Smiles
C (CCC) C=1C (OS (N (C) C) (=O) =O) =NC (NCC) =NC1C
Molecular Formula
C13H24N4O3S
Molecular Weight
316.42
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Bupirimate

Bupirimate is a member of the class of aminopyrimidines that is 2-ethylaminopyrimidine carrying methyl, butyl and dimethylaminosulfooxy substituents at posiitons 4, 5 and 6 respectively. It has a role as an androgen antagonist and an antifungal agrochemical. It is an aminopyrimidine, a sulfamate ester, a secondary amino compound and a pyrimidine fungicide.

CAS Number41483-43-6
PubChem CID38884
IUPAC Name[5-butyl-2-(ethylamino)-6-methylpyrimidin-4-yl] N,N-dimethylsulfamate
Molecular FormulaC13H24N4O3S
Molecular Weight316.42
XLogP2.7
Topological Polar Surface Area92.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Heavy Atom Count21
Formal Charge0
Complexity397
SMILES
CCCCC1=C(N=C(N=C1OS(=O)(=O)N(C)C)NCC)C
InChI
InChI=1S/C13H24N4O3S/c1-6-8-9-11-10(3)15-13(14-7-2)16-12(11)20-21(18,19)17(4)5/h6-9H2,1-5H3,(H,14,15,16)
InChIKey
DSKJPMWIHSOYEA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Bupirimate
CAS: 41483-43-6
CID: 38884
Formula: C13H24N4O3S
MW: 316.42
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight316.42
XLogP32.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Exact Mass316.15691181
Monoisotopic Mass316.15691181
Topological Polar Surface Area92.8 Ų
Heavy Atom Count21
Formal Charge0
Complexity397
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
MBS3615970-01Bupirimate
S-4272Bupirimate - 1ML
HY-133216RBupirimate (Standard)
TRC-B689635-50MGBupirimate, 90%

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