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GCA-186

CAT: 0931-T24087-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T24087-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
149950-61-8
Target
HIV Protease, Others
Related Pathways
Others, Microbiology/Virology, Proteases/Proteasome
Bioactivity
GCA-186 is an effective non-nucleoside HIV-1 reverse transcriptase inhibitor.
Smiles
C(C1=C(C(C)C)C(=O)NC(=O)N1COCC)C2=CC(C)=CC(C)=C2
Molecular Formula
C19H26N2O3
Molecular Weight
330.42
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

6-(3,5-Dimethylbenzyl)-1-(ethoxymethyl)-5-isopropyluracil

6-(3,5-dimethylbenzyl)-1-(ethoxymethyl)-5-isopropyluracil is a pyrimidone that is uracil which is substituted at positions 1, 5, and 6 by ethoxymethyl, isopropyl, and 3,5-dimethylbenzyl groups, respectively. It is functionally related to a uracil.

CAS Number149950-61-8
PubChem CID3457
IUPAC Name6-[(3,5-dimethylphenyl)methyl]-1-(ethoxymethyl)-5-propan-2-ylpyrimidine-2,4-dione
Molecular FormulaC19H26N2O3
Molecular Weight330.4
XLogP3.3
Topological Polar Surface Area58.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Heavy Atom Count24
Formal Charge0
Complexity503
SMILES
CCOCN1C(=C(C(=O)NC1=O)C(C)C)CC2=CC(=CC(=C2)C)C
InChI
InChI=1S/C19H26N2O3/c1-6-24-11-21-16(10-15-8-13(4)7-14(5)9-15)17(12(2)3)18(22)20-19(21)23/h7-9,12H,6,10-11H2,1-5H3,(H,20,22,23)
InChIKey
NVGVZWUORYLPAL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6-(3,5-Dimethylbenzyl)-1-(ethoxymethyl)-5-isopropyluracil
CAS: 149950-61-8
CID: 3457
Formula: C19H26N2O3
MW: 330.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight330.4
XLogP33.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Exact Mass330.19434270
Monoisotopic Mass330.19434270
Topological Polar Surface Area58.6 Ų
Heavy Atom Count24
Formal Charge0
Complexity503
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