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GS 39783

CAT: 0607-B6918-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0607-B6918-10Size:10 mg
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Description
Positive allosteric modulator of GABAB receptor
CAS Number
39069-52-8
Product Name Alternative
N4,N6-dicyclopentyl-2-(methylthio)-5-nitropyrimidine-4,6-diamine
Field of Research
Membrane Transporter Ion Channel GABA Receptor
Purity
0.98
Form
Pale orange solid
Solubility
insoluble in DMSO;insoluble in ethanol
Smiles
[O-][N+](C1=C(N=C(N=C1NC2CCCC2)SC)NC3CCCC3)=O
Molecular Formula
C15H23N5O2S
Molecular Weight
337.44
Shipping Conditions
Blue ice
Storage Conditions
Store at RT.

Chemical Information

N,N'-dicyclopentyl-2-methylsulfanyl-5-nitro-pyrimidine-4,6-diamine

N4,N6-dicyclopentyl-2-(methylthio)-5-nitropyrimidine-4,6-diamine is an aryl sulfide.

CAS Number39069-52-8
PubChem CID6604928
IUPAC Name4-N,6-N-dicyclopentyl-2-methylsulfanyl-5-nitropyrimidine-4,6-diamine
Molecular FormulaC15H23N5O2S
Molecular Weight337.4
XLogP5.2
Topological Polar Surface Area121
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Heavy Atom Count23
Formal Charge0
Complexity368
SMILES
CSC1=NC(=C(C(=N1)NC2CCCC2)[N+](=O)[O-])NC3CCCC3
InChI
InChI=1S/C15H23N5O2S/c1-23-15-18-13(16-10-6-2-3-7-10)12(20(21)22)14(19-15)17-11-8-4-5-9-11/h10-11H,2-9H2,1H3,(H2,16,17,18,19)
InChIKey
GSGVDKOCBKBMGG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N,N'-dicyclopentyl-2-methylsulfanyl-5-nitro-pyrimidine-4,6-diamine
CAS: 39069-52-8
CID: 6604928
Formula: C15H23N5O2S
MW: 337.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight337.4
XLogP35.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass337.15724617
Monoisotopic Mass337.15724617
Topological Polar Surface Area121 Ų
Heavy Atom Count23
Formal Charge0
Complexity368
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

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CatalogName
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451448GS 39783-d8

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