2-ethylsulfanyl-6-hydroxy-3-phenylpyrimidin-4-one

C12H12N2O2S — CID 135402235

IUPAC2-ethylsulfanyl-6-hydroxy-3-phenylpyrimidin-4-one
SMILESCCSc1nc(O)cc(=O)n1-c1ccccc1
InChIInChI=1S/C12H12N2O2S/c1-2-17-12-13-10(15)8-11(16)14(12)9-6-4-3-5-7-9/h3-8,15H,2H2,1H3
InChIKeyHJUVXOMFFGIKFG-UHFFFAOYSA-N
MW248.31 g/mol
LogP2.05
Rot. Bonds3

About 2-ethylsulfanyl-6-hydroxy-3-phenylpyrimidin-4-one

2-ethylsulfanyl-6-hydroxy-3-phenylpyrimidin-4-one (PubChem CID 135402235) has the molecular formula C12H12N2O2S and a molecular weight of 248.31 g/mol. Its IUPAC name is 2-ethylsulfanyl-6-hydroxy-3-phenylpyrimidin-4-one.

Molecular Properties

Compound Name2-ethylsulfanyl-6-hydroxy-3-phenylpyrimidin-4-one
PubChem CID135402235
Molecular FormulaC12H12N2O2S
Molecular Weight248.31 g/mol
Exact Mass248.06
IUPAC Name2-ethylsulfanyl-6-hydroxy-3-phenylpyrimidin-4-one
SMILESCCSc1nc(O)cc(=O)n1-c1ccccc1
InChIInChI=1S/C12H12N2O2S/c1-2-17-12-13-10(15)8-11(16)14(12)9-6-4-3-5-7-9/h3-8,15H,2H2,1H3
InChIKeyHJUVXOMFFGIKFG-UHFFFAOYSA-N
XLogP2.05
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-hydroxy-2-phenacylsulfanyl-3-phenylpyrimidin-4-one
CID 135402231
2-benzylsulfanyl-3-(4-fluorophenyl)-6-hydroxypyrimidin-4-one
CID 135510983
2-(4-hydroxy-6-oxo-1-phenylpyrimidin-2-yl)sulfanyl-N-phenylacetamide
CID 135408913
2-ethoxy-6-hydroxy-3-phenylpyrimidin-4-one
CID 137194939
N-benzhydryl-2-[1-(4-fluorophenyl)-4-hydroxy-6-oxopyrimidin-2-yl]sulfanylacetamide
CID 137118905
ethane;6-hydroxy-2-methyl-3-phenylpyrimidin-4-one;propane;prop-1-ene
CID 143797360
2-ethylsulfanyl-3-(4-fluorophenyl)quinazolin-4-one
CID 2652423
2-[4-hydroxy-1-(4-methylphenyl)-6-oxopyrimidin-2-yl]sulfanyl-N-(4-methylphenyl)acetamide
CID 135427541
2-ethylsulfanyl-3-(3-methoxyphenyl)quinazolin-4-one
CID 714917
2-ethylsulfanyl-1-phenyl-7H-purin-6-one
CID 4979591
2-(2-oxopropylsulfanyl)-3-phenyl-6-(trifluoromethyl)pyrimidin-4-one
CID 1481729
6-hydroxy-3-(4-methylphenyl)-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylpyrimidin-4-one
CID 135541177

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-6-hydroxy-3-phenylpyrimidin-4-one?
The IUPAC name of 2-ethylsulfanyl-6-hydroxy-3-phenylpyrimidin-4-one (CID 135402235) is 2-ethylsulfanyl-6-hydroxy-3-phenylpyrimidin-4-one.
What is the SMILES notation for 2-ethylsulfanyl-6-hydroxy-3-phenylpyrimidin-4-one?
The canonical SMILES for 2-ethylsulfanyl-6-hydroxy-3-phenylpyrimidin-4-one is CCSc1nc(O)cc(=O)n1-c1ccccc1.
What is the InChIKey of 2-ethylsulfanyl-6-hydroxy-3-phenylpyrimidin-4-one?
The InChIKey is HJUVXOMFFGIKFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2S/c1-2-17-12-13-10(15)8-11(16)14(12)9-6-4-3-5-7-9/h3-8,15H,2H2,1H3.
What are the key properties of 2-ethylsulfanyl-6-hydroxy-3-phenylpyrimidin-4-one?
2-ethylsulfanyl-6-hydroxy-3-phenylpyrimidin-4-one has a molecular weight of 248.31 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-6-hydroxy-3-phenylpyrimidin-4-one is sourced from PubChem (CID 135402235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).