5-Cyclopropyl-1-ethoxymethyl-6-(phenythio)uracil
Basic information
- CAS
136160-36-6- Standard SMILES
CCOCn1c(Sc2ccccc2)c(C2CC2)c(=O)[nH]c1=O- InChIKey
VHZHYYARALVRLG-UHFFFAOYSA-N- Molecular formula
- C16H18N2O3S
- Average molar mass
- 318.4 g/mol
- Monoisotopic mass
- 318.10381361
Names & identifiers
- Preferred name
- 5-Cyclopropyl-1-ethoxymethyl-6-(phenythio)uracil
- IUPAC
- 5-cyclopropyl-1-(ethoxymethyl)-6-phenylsulfanylpyrimidine-2,4-dione
Names & synonyms
1-EtOMe-6PhS-5cyPr U5-Cyclopropyl-1-ethoxymethyl-6-(phenythio)uracil136160-36-6CHEMBL39093DTXSID10159715BDBM500041265-cyclopropyl-1-(ethoxymethyl)-6-phenylsulfanyl-pyrimidine-2,4-dione5-Cyclopropyl-1-ethoxymethyl-6-phenylsulfanyl-1H-pyrimidine-2,4-dione5-Cyclopropyl-1-(ethoxymethyl)-6-(phenylsulfanyl)pyrimidine-2,4(1H,3H)-dione
Database identifiers
- CAS
136160-36-6- PubChem CID
- 454565
- DTXSID
DTXSID10159715- ChEMBL
CHEMBL39093- Nikkaji
- J522.712G
Properties
Computed structural properties
- XLogP
- 2.7
- 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
- 482
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Compound notes
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