Basic information
- CAS
132774-45-9- Standard SMILES
CCOCn1c(Sc2ccccc2)c(CC)c(=O)[nH]c1=O- InChIKey
CJUYXNGOWAETEX-UHFFFAOYSA-N- Molecular formula
- C15H18N2O3S
- Average molar mass
- 306.4 g/mol
- Monoisotopic mass
- 306.10381361
Overview
inhibits human HIV-1; structure given in first source
Names & identifiers
- Preferred name
- 5-Ethyl-1-ethoxymethyl-6-(phenylthio)uracil
- IUPAC
- 1-(ethoxymethyl)-5-ethyl-6-phenylsulfanylpyrimidine-2,4-dione
- English name
- 5-ethyl-1-ethoxymethyl-6-(phenylthio)uracil
- Molecular formula
- C15H18N2O3S
- Molecular weight
- 306.38
Names & synonyms
132774-45-95-Ethyl-1-ethoxymethyl-6-(phenylthio)uracilE-EPUDTXSID50157770RefChem:102538DTXCID3080261CHEMBL369951-(ethoxymethyl)-5-ethyl-6-phenylsulfanylpyrimidine-2,4-dione1-(Ethoxymethyl)-5-ethyl-6-(phenylthio)-2,4(1H,3H)-pyrimidinedioneSCHEMBL5998461-(Ethoxymethyl)-5-ethyl-6-(phenylthio)pyrimidine-2,4(1h,3h)-dioneBDBM50004129
Show more names
2,4(1H,3H)-Pyrimidinedione, 1-(ethoxymethyl)-5-ethyl-6-(phenylthio)-DB-1616971-[(Ethoxy)methyl]-6-(phenylthio)-5-ethyluracil1-(ethoxymethyl)-5-ethyl-6-phenylsulfanyl-pyrimidine-2,4-dione1-Ethoxymethyl-5-ethyl-6-phenylsulfanyl-1H-pyrimidine-2,4-dione1-(ethoxymethyl)-5-ethyl-6-(phenylsulfanyl)pyrimidine-2,4(1H,3H)-dione
Database identifiers
- CAS
132774-45-9- PubChem CID
- 64997
- DTXSID
DTXSID50157770- ChEMBL
CHEMBL36995- Nikkaji
- J419.176E
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 83.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 431
Experimental & physicochemical properties
LogP2.11
Physicochemical properties
- Melting point
- 123 · 123-125 °C
- Density
- 1.27 · 1.27±0.1 g/cm3(Predicted)
- pka
- 8.59 · 8.59±0.40(Predicted)
Chemistry & industry
Suppliers1 total
CHEMICAL LAND21[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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