1-ethyl-6-(4-fluorophenyl)sulfanyl-3-hydroxypyrimidine-2,4-dione

C12H11FN2O3S — CID 164625951

IUPAC1-ethyl-6-(4-fluorophenyl)sulfanyl-3-hydroxypyrimidine-2,4-dione
SMILESCCn1c(Sc2ccc(F)cc2)cc(=O)n(O)c1=O
InChIInChI=1S/C12H11FN2O3S/c1-2-14-11(7-10(16)15(18)12(14)17)19-9-5-3-8(13)4-6-9/h3-7,18H,2H2,1H3
InChIKeyRODKQXMXHYNASN-UHFFFAOYSA-N
MW282.30 g/mol
LogP1.56
Rot. Bonds3

About 1-ethyl-6-(4-fluorophenyl)sulfanyl-3-hydroxypyrimidine-2,4-dione

1-ethyl-6-(4-fluorophenyl)sulfanyl-3-hydroxypyrimidine-2,4-dione (PubChem CID 164625951) has the molecular formula C12H11FN2O3S and a molecular weight of 282.30 g/mol. Its IUPAC name is 1-ethyl-6-(4-fluorophenyl)sulfanyl-3-hydroxypyrimidine-2,4-dione.

Molecular Properties

Compound Name1-ethyl-6-(4-fluorophenyl)sulfanyl-3-hydroxypyrimidine-2,4-dione
PubChem CID164625951
Molecular FormulaC12H11FN2O3S
Molecular Weight282.30 g/mol
Exact Mass282.05
IUPAC Name1-ethyl-6-(4-fluorophenyl)sulfanyl-3-hydroxypyrimidine-2,4-dione
SMILESCCn1c(Sc2ccc(F)cc2)cc(=O)n(O)c1=O
InChIInChI=1S/C12H11FN2O3S/c1-2-14-11(7-10(16)15(18)12(14)17)19-9-5-3-8(13)4-6-9/h3-7,18H,2H2,1H3
InChIKeyRODKQXMXHYNASN-UHFFFAOYSA-N
XLogP1.56
TPSA64.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-6-(4-fluorophenyl)sulfanyl-3-hydroxypyrimidine-2,4-dione?
The IUPAC name of 1-ethyl-6-(4-fluorophenyl)sulfanyl-3-hydroxypyrimidine-2,4-dione (CID 164625951) is 1-ethyl-6-(4-fluorophenyl)sulfanyl-3-hydroxypyrimidine-2,4-dione.
What is the SMILES notation for 1-ethyl-6-(4-fluorophenyl)sulfanyl-3-hydroxypyrimidine-2,4-dione?
The canonical SMILES for 1-ethyl-6-(4-fluorophenyl)sulfanyl-3-hydroxypyrimidine-2,4-dione is CCn1c(Sc2ccc(F)cc2)cc(=O)n(O)c1=O.
What is the InChIKey of 1-ethyl-6-(4-fluorophenyl)sulfanyl-3-hydroxypyrimidine-2,4-dione?
The InChIKey is RODKQXMXHYNASN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O3S/c1-2-14-11(7-10(16)15(18)12(14)17)19-9-5-3-8(13)4-6-9/h3-7,18H,2H2,1H3.
What are the key properties of 1-ethyl-6-(4-fluorophenyl)sulfanyl-3-hydroxypyrimidine-2,4-dione?
1-ethyl-6-(4-fluorophenyl)sulfanyl-3-hydroxypyrimidine-2,4-dione has a molecular weight of 282.30 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-6-(4-fluorophenyl)sulfanyl-3-hydroxypyrimidine-2,4-dione is sourced from PubChem (CID 164625951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).