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

C10H7FN2O2S — CID 10955596

IUPAC6-(4-fluorophenyl)sulfanyl-1H-pyrimidine-2,4-dione
SMILESO=c1cc(Sc2ccc(F)cc2)[nH]c(=O)[nH]1
InChIInChI=1S/C10H7FN2O2S/c11-6-1-3-7(4-2-6)16-9-5-8(14)12-10(15)13-9/h1-5H,(H2,12,13,14,15)
InChIKeyMUZDFBRNAPOBRM-UHFFFAOYSA-N
MW238.24 g/mol
LogP1.35
Rot. Bonds2

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

6-(4-fluorophenyl)sulfanyl-1H-pyrimidine-2,4-dione (PubChem CID 10955596) has the molecular formula C10H7FN2O2S and a molecular weight of 238.24 g/mol. Its IUPAC name is 6-(4-fluorophenyl)sulfanyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(4-fluorophenyl)sulfanyl-1H-pyrimidine-2,4-dione
PubChem CID10955596
Molecular FormulaC10H7FN2O2S
Molecular Weight238.24 g/mol
Exact Mass238.02
IUPAC Name6-(4-fluorophenyl)sulfanyl-1H-pyrimidine-2,4-dione
SMILESO=c1cc(Sc2ccc(F)cc2)[nH]c(=O)[nH]1
InChIInChI=1S/C10H7FN2O2S/c11-6-1-3-7(4-2-6)16-9-5-8(14)12-10(15)13-9/h1-5H,(H2,12,13,14,15)
InChIKeyMUZDFBRNAPOBRM-UHFFFAOYSA-N
XLogP1.35
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)sulfanyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-(4-fluorophenyl)sulfanyl-1H-pyrimidine-2,4-dione (CID 10955596) is 6-(4-fluorophenyl)sulfanyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-(4-fluorophenyl)sulfanyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-(4-fluorophenyl)sulfanyl-1H-pyrimidine-2,4-dione is O=c1cc(Sc2ccc(F)cc2)[nH]c(=O)[nH]1.
What is the InChIKey of 6-(4-fluorophenyl)sulfanyl-1H-pyrimidine-2,4-dione?
The InChIKey is MUZDFBRNAPOBRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7FN2O2S/c11-6-1-3-7(4-2-6)16-9-5-8(14)12-10(15)13-9/h1-5H,(H2,12,13,14,15).
What are the key properties of 6-(4-fluorophenyl)sulfanyl-1H-pyrimidine-2,4-dione?
6-(4-fluorophenyl)sulfanyl-1H-pyrimidine-2,4-dione has a molecular weight of 238.24 g/mol, XLogP of 1.35, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)sulfanyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 10955596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).