6-(4-hydroxyphenyl)-2-sulfanylidene-1H-pyrimidin-4-one

C10H8N2O2S — CID 2898799

IUPAC6-(4-hydroxyphenyl)-2-sulfanylidene-1H-pyrimidin-4-one
SMILESO=c1cc(-c2ccc(O)cc2)[nH]c(=S)[nH]1
InChIInChI=1S/C10H8N2O2S/c13-7-3-1-6(2-4-7)8-5-9(14)12-10(15)11-8/h1-5,13H,(H2,11,12,14,15)
InChIKeyWPNGNGKVFAIABV-UHFFFAOYSA-N
MW220.25 g/mol
LogP1.81
Rot. Bonds1

About 6-(4-hydroxyphenyl)-2-sulfanylidene-1H-pyrimidin-4-one

6-(4-hydroxyphenyl)-2-sulfanylidene-1H-pyrimidin-4-one (PubChem CID 2898799) has the molecular formula C10H8N2O2S and a molecular weight of 220.25 g/mol. Its IUPAC name is 6-(4-hydroxyphenyl)-2-sulfanylidene-1H-pyrimidin-4-one.

Molecular Properties

Compound Name6-(4-hydroxyphenyl)-2-sulfanylidene-1H-pyrimidin-4-one
PubChem CID2898799
Molecular FormulaC10H8N2O2S
Molecular Weight220.25 g/mol
Exact Mass220.03
IUPAC Name6-(4-hydroxyphenyl)-2-sulfanylidene-1H-pyrimidin-4-one
SMILESO=c1cc(-c2ccc(O)cc2)[nH]c(=S)[nH]1
InChIInChI=1S/C10H8N2O2S/c13-7-3-1-6(2-4-7)8-5-9(14)12-10(15)11-8/h1-5,13H,(H2,11,12,14,15)
InChIKeyWPNGNGKVFAIABV-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

6-hydroxy-2-(4-hydroxyphenyl)-4H-pyrido[1,2-a]pyrimidin-4-one
CID 23625831
6-(4-methoxyphenyl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one
CID 883504
2-amino-4-(4-hydroxyphenyl)-1H-pyrimidin-6-one
CID 136216662
1-[4-(4-Hydroxyphenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinyl]ethanone
CID 2843598
6-Hydroxy-4-(4-hydroxyphenyl)-2-sulfanylpyrimidine-5-carbonitrile
CID 16637233
2-(4-hydroxybenzyl)-6-hydroxy-4H-pyrido[1,2-a]pyrimidin-4-one
CID 23625833
4-Hydroxy-5-(4-hydroxyphenyl)-1,3-dihydroimidazol-2-one
CID 54183006
6-(2-Hydroxyphenyl)-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one
CID 1204322
5-Chloro-6-(2-hydroxyphenyl)-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one
CID 13199464
5-Bromo-6-(2-hydroxyphenyl)-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one
CID 13199465
6-(3-Fluoro-4-hydroxyphenyl)pyridin-2(1H)-one
CID 53217629
6-[4-(difluoromethoxy)phenyl]-2-sulfanylidene-1H-pyrimidin-4-one
CID 65710250

Frequently Asked Questions

What is the IUPAC name of 6-(4-hydroxyphenyl)-2-sulfanylidene-1H-pyrimidin-4-one?
The IUPAC name of 6-(4-hydroxyphenyl)-2-sulfanylidene-1H-pyrimidin-4-one (CID 2898799) is 6-(4-hydroxyphenyl)-2-sulfanylidene-1H-pyrimidin-4-one.
What is the SMILES notation for 6-(4-hydroxyphenyl)-2-sulfanylidene-1H-pyrimidin-4-one?
The canonical SMILES for 6-(4-hydroxyphenyl)-2-sulfanylidene-1H-pyrimidin-4-one is O=c1cc(-c2ccc(O)cc2)[nH]c(=S)[nH]1.
What is the InChIKey of 6-(4-hydroxyphenyl)-2-sulfanylidene-1H-pyrimidin-4-one?
The InChIKey is WPNGNGKVFAIABV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O2S/c13-7-3-1-6(2-4-7)8-5-9(14)12-10(15)11-8/h1-5,13H,(H2,11,12,14,15).
What are the key properties of 6-(4-hydroxyphenyl)-2-sulfanylidene-1H-pyrimidin-4-one?
6-(4-hydroxyphenyl)-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-(4-hydroxyphenyl)-2-sulfanylidene-1H-pyrimidin-4-one is sourced from PubChem (CID 2898799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).