5-ethyl-6-(4-fluorophenyl)sulfanyl-1H-pyrimidine-2,4-dione

C12H11FN2O2S — CID 11807607

IUPAC5-ethyl-6-(4-fluorophenyl)sulfanyl-1H-pyrimidine-2,4-dione
SMILESCCc1c(Sc2ccc(F)cc2)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C12H11FN2O2S/c1-2-9-10(16)14-12(17)15-11(9)18-8-5-3-7(13)4-6-8/h3-6H,2H2,1H3,(H2,14,15,16,17)
InChIKeyHBJDDVICCGSOPI-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.92
Rot. Bonds3

About 5-ethyl-6-(4-fluorophenyl)sulfanyl-1H-pyrimidine-2,4-dione

5-ethyl-6-(4-fluorophenyl)sulfanyl-1H-pyrimidine-2,4-dione (PubChem CID 11807607) has the molecular formula C12H11FN2O2S and a molecular weight of 266.30 g/mol. Its IUPAC name is 5-ethyl-6-(4-fluorophenyl)sulfanyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-ethyl-6-(4-fluorophenyl)sulfanyl-1H-pyrimidine-2,4-dione
PubChem CID11807607
Molecular FormulaC12H11FN2O2S
Molecular Weight266.30 g/mol
Exact Mass266.05
IUPAC Name5-ethyl-6-(4-fluorophenyl)sulfanyl-1H-pyrimidine-2,4-dione
SMILESCCc1c(Sc2ccc(F)cc2)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C12H11FN2O2S/c1-2-9-10(16)14-12(17)15-11(9)18-8-5-3-7(13)4-6-8/h3-6H,2H2,1H3,(H2,14,15,16,17)
InChIKeyHBJDDVICCGSOPI-UHFFFAOYSA-N
XLogP1.92
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-6-(4-fluorophenyl)sulfanyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-ethyl-6-(4-fluorophenyl)sulfanyl-1H-pyrimidine-2,4-dione (CID 11807607) is 5-ethyl-6-(4-fluorophenyl)sulfanyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-ethyl-6-(4-fluorophenyl)sulfanyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-ethyl-6-(4-fluorophenyl)sulfanyl-1H-pyrimidine-2,4-dione is CCc1c(Sc2ccc(F)cc2)[nH]c(=O)[nH]c1=O.
What is the InChIKey of 5-ethyl-6-(4-fluorophenyl)sulfanyl-1H-pyrimidine-2,4-dione?
The InChIKey is HBJDDVICCGSOPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O2S/c1-2-9-10(16)14-12(17)15-11(9)18-8-5-3-7(13)4-6-8/h3-6H,2H2,1H3,(H2,14,15,16,17).
What are the key properties of 5-ethyl-6-(4-fluorophenyl)sulfanyl-1H-pyrimidine-2,4-dione?
5-ethyl-6-(4-fluorophenyl)sulfanyl-1H-pyrimidine-2,4-dione has a molecular weight of 266.30 g/mol, XLogP of 1.92, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-6-(4-fluorophenyl)sulfanyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 11807607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).