6-hydroxy-5-phenyl-2-sulfanylidene-1H-pyrimidin-4-one

C10H8N2O2S — CID 3614670

IUPAC6-hydroxy-5-phenyl-2-sulfanylidene-1H-pyrimidin-4-one
SMILESO=c1[nH]c(=S)[nH]c(O)c1-c1ccccc1
InChIInChI=1S/C10H8N2O2S/c13-8-7(6-4-2-1-3-5-6)9(14)12-10(15)11-8/h1-5H,(H3,11,12,13,14,15)
InChIKeyNCTFZUUDZXRELF-UHFFFAOYSA-N
MW220.25 g/mol
LogP1.81
Rot. Bonds1

About 6-hydroxy-5-phenyl-2-sulfanylidene-1H-pyrimidin-4-one

6-hydroxy-5-phenyl-2-sulfanylidene-1H-pyrimidin-4-one (PubChem CID 3614670) has the molecular formula C10H8N2O2S and a molecular weight of 220.25 g/mol. Its IUPAC name is 6-hydroxy-5-phenyl-2-sulfanylidene-1H-pyrimidin-4-one.

Molecular Properties

Compound Name6-hydroxy-5-phenyl-2-sulfanylidene-1H-pyrimidin-4-one
PubChem CID3614670
Molecular FormulaC10H8N2O2S
Molecular Weight220.25 g/mol
Exact Mass220.03
IUPAC Name6-hydroxy-5-phenyl-2-sulfanylidene-1H-pyrimidin-4-one
SMILESO=c1[nH]c(=S)[nH]c(O)c1-c1ccccc1
InChIInChI=1S/C10H8N2O2S/c13-8-7(6-4-2-1-3-5-6)9(14)12-10(15)11-8/h1-5H,(H3,11,12,13,14,15)
InChIKeyNCTFZUUDZXRELF-UHFFFAOYSA-N
XLogP1.81
TPSA68.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 2725676
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CID 951671
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CID 3987924
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CID 459806
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CID 12638204
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CID 705344
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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-5-phenyl-2-sulfanylidene-1H-pyrimidin-4-one?
The IUPAC name of 6-hydroxy-5-phenyl-2-sulfanylidene-1H-pyrimidin-4-one (CID 3614670) is 6-hydroxy-5-phenyl-2-sulfanylidene-1H-pyrimidin-4-one.
What is the SMILES notation for 6-hydroxy-5-phenyl-2-sulfanylidene-1H-pyrimidin-4-one?
The canonical SMILES for 6-hydroxy-5-phenyl-2-sulfanylidene-1H-pyrimidin-4-one is O=c1[nH]c(=S)[nH]c(O)c1-c1ccccc1.
What is the InChIKey of 6-hydroxy-5-phenyl-2-sulfanylidene-1H-pyrimidin-4-one?
The InChIKey is NCTFZUUDZXRELF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O2S/c13-8-7(6-4-2-1-3-5-6)9(14)12-10(15)11-8/h1-5H,(H3,11,12,13,14,15).
What are the key properties of 6-hydroxy-5-phenyl-2-sulfanylidene-1H-pyrimidin-4-one?
6-hydroxy-5-phenyl-2-sulfanylidene-1H-pyrimidin-4-one has a molecular weight of 220.25 g/mol, XLogP of 1.81, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-5-phenyl-2-sulfanylidene-1H-pyrimidin-4-one is sourced from PubChem (CID 3614670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).