5-(4-fluorophenyl)-6-hydroxy-2-sulfanylidene-1H-pyrimidin-4-one

C10H7FN2O2S — CID 139229774

IUPAC5-(4-fluorophenyl)-6-hydroxy-2-sulfanylidene-1H-pyrimidin-4-one
SMILESO=c1[nH]c(=S)[nH]c(O)c1-c1ccc(F)cc1
InChIInChI=1S/C10H7FN2O2S/c11-6-3-1-5(2-4-6)7-8(14)12-10(16)13-9(7)15/h1-4H,(H3,12,13,14,15,16)
InChIKeySAVOTIHRYQULKM-UHFFFAOYSA-N
MW238.24 g/mol
LogP1.94
Rot. Bonds1

About 5-(4-fluorophenyl)-6-hydroxy-2-sulfanylidene-1H-pyrimidin-4-one

5-(4-fluorophenyl)-6-hydroxy-2-sulfanylidene-1H-pyrimidin-4-one (PubChem CID 139229774) has the molecular formula C10H7FN2O2S and a molecular weight of 238.24 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-6-hydroxy-2-sulfanylidene-1H-pyrimidin-4-one.

Molecular Properties

Compound Name5-(4-fluorophenyl)-6-hydroxy-2-sulfanylidene-1H-pyrimidin-4-one
PubChem CID139229774
Molecular FormulaC10H7FN2O2S
Molecular Weight238.24 g/mol
Exact Mass238.02
IUPAC Name5-(4-fluorophenyl)-6-hydroxy-2-sulfanylidene-1H-pyrimidin-4-one
SMILESO=c1[nH]c(=S)[nH]c(O)c1-c1ccc(F)cc1
InChIInChI=1S/C10H7FN2O2S/c11-6-3-1-5(2-4-6)7-8(14)12-10(16)13-9(7)15/h1-4H,(H3,12,13,14,15,16)
InChIKeySAVOTIHRYQULKM-UHFFFAOYSA-N
XLogP1.94
TPSA68.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-6-hydroxy-2-sulfanylidene-1H-pyrimidin-4-one?
The IUPAC name of 5-(4-fluorophenyl)-6-hydroxy-2-sulfanylidene-1H-pyrimidin-4-one (CID 139229774) is 5-(4-fluorophenyl)-6-hydroxy-2-sulfanylidene-1H-pyrimidin-4-one.
What is the SMILES notation for 5-(4-fluorophenyl)-6-hydroxy-2-sulfanylidene-1H-pyrimidin-4-one?
The canonical SMILES for 5-(4-fluorophenyl)-6-hydroxy-2-sulfanylidene-1H-pyrimidin-4-one is O=c1[nH]c(=S)[nH]c(O)c1-c1ccc(F)cc1.
What is the InChIKey of 5-(4-fluorophenyl)-6-hydroxy-2-sulfanylidene-1H-pyrimidin-4-one?
The InChIKey is SAVOTIHRYQULKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7FN2O2S/c11-6-3-1-5(2-4-6)7-8(14)12-10(16)13-9(7)15/h1-4H,(H3,12,13,14,15,16).
What are the key properties of 5-(4-fluorophenyl)-6-hydroxy-2-sulfanylidene-1H-pyrimidin-4-one?
5-(4-fluorophenyl)-6-hydroxy-2-sulfanylidene-1H-pyrimidin-4-one has a molecular weight of 238.24 g/mol, XLogP of 1.94, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-6-hydroxy-2-sulfanylidene-1H-pyrimidin-4-one is sourced from PubChem (CID 139229774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).