5-Ethyl-1-((isopropyloxy)methyl)-6-(phenylthio)uracil

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Basic information

CAS: 136160-38-8
Standard SMILES: CCc1c(Sc2ccccc2)n(COC(C)C)c(=O)[nH]c1=O
InChIKey: GXUOHKNVGDGRDA-UHFFFAOYSA-N
Molecular formula: C16H20N2O3S
Average molar mass: 320.4 g/mol
Monoisotopic mass: 320.11946368

Names & identifiers

Preferred name: 5-Ethyl-1-((isopropyloxy)methyl)-6-(phenylthio)uracil
IUPAC: 5-ethyl-6-phenylsulfanyl-1-(propan-2-yloxymethyl)pyrimidine-2,4-dione

Names & synonyms

1-i-PrOMe-6PhS-5Et U5-Ethyl-1-((isopropyloxy)methyl)-6-(phenylthio)uracil136160-38-85-Ethyl-1-[(isopropyloxy)methyl]-6-(phenylthio)uracilCHEMBL143258DTXSID301597175-ethyl-1-(isopropoxymethyl)-6-phenylsulfanyl-pyrimidine-2,4-dione5-Ethyl-6-(phenylsulfanyl)-1-{[(propan-2-yl)oxy]methyl}pyrimidine-2,4(1H,3H)-dione

Database identifiers

CAS: 136160-38-8
PubChem CID: 454559
DTXSID: DTXSID30159717
ChEMBL: CHEMBL143258
Nikkaji: J522.706B

Properties

Computed structural properties

XLogP: 3
Topological polar surface area: 83.9 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 6
Heavy atoms: 22
Formal charge: 0
Complexity: 456

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Compound notes

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