Basic information
- CAS
136160-32-2- Standard SMILES
CCOCn1c(Sc2ccccc2)c(C(C)C)c(=O)[nH]c1=O- InChIKey
SFVSRXRSAJNPAC-UHFFFAOYSA-N- Molecular formula
- C16H20N2O3S
- Average molar mass
- 320.4 g/mol
- Monoisotopic mass
- 320.11946368
Overview
1-(ethoxymethyl)-5-isopropyl-6-(phenylsulfanyl)uracil is a pyrimidone that is uracil in which positions 1, 5, and 6 are substituted by ethoxymethyl, isopropyl, and phenylsulfanyl groups, respectively. It is an aryl sulfide and a pyrimidone. It is functionally related to a uracil.
Names & identifiers
- Preferred name
- 5-Isopropyl-1-ethoxymethyl-6-(phenylthio)uracil
- IUPAC
- 1-(ethoxymethyl)-6-phenylsulfanyl-5-propan-2-ylpyrimidine-2,4-dione
Names & synonyms
5-Isopropyl-1-ethoxymethyl-6-(phenylthio)uracil136160-32-2I-EPU, I-HEPU1-(ethoxymethyl)-6-(phenylsulfanyl)-5-(propan-2-yl)pyrimidine-2,4(1h,3h)-dione1-EtOMe-6PhS-5-i-Pr U1-(ethoxymethyl)-5-isopropyl-6-(phenylsulfanyl)uracilCHEMBL387115-isopropyl-1-(ethoxymethyl)-6-(phenylthio)uracil1-(ethoxymethyl)-6-phenylsulfanyl-5-propan-2-ylpyrimidine-2,4-dioneCHEBI:40152DTXSID70159711BDBM50004119
Show more names
Q271203901-(ethoxymethyl)-5-isopropyl-6-phenylsulfanyl-pyrimidine-2,4-dione1-Ethoxymethyl-5-isopropyl-6-phenylsulfanyl-1H-pyrimidine-2,4-dione1-(ethoxymethyl)-5-(1-methylethyl)-6-(phenylsulfanyl)pyrimidine-2,4(1H,3H)-dione
Database identifiers
- CAS
136160-32-2- PubChem CID
- 5495
- DTXSID
DTXSID70159711- ChEMBL
CHEMBL38711- ChEBI
CHEBI:40152- Nikkaji
- J522.710K
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 83.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 456
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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