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

C18H14N2O3S — CID 135402231

IUPAC6-hydroxy-2-phenacylsulfanyl-3-phenylpyrimidin-4-one
SMILESO=C(CSc1nc(O)cc(=O)n1-c1ccccc1)c1ccccc1
InChIInChI=1S/C18H14N2O3S/c21-15(13-7-3-1-4-8-13)12-24-18-19-16(22)11-17(23)20(18)14-9-5-2-6-10-14/h1-11,22H,12H2
InChIKeyVDCYTIVGJJHLSQ-UHFFFAOYSA-N
MW338.39 g/mol
LogP2.91
Rot. Bonds5

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

6-hydroxy-2-phenacylsulfanyl-3-phenylpyrimidin-4-one (PubChem CID 135402231) has the molecular formula C18H14N2O3S and a molecular weight of 338.39 g/mol. Its IUPAC name is 6-hydroxy-2-phenacylsulfanyl-3-phenylpyrimidin-4-one.

Molecular Properties

Compound Name6-hydroxy-2-phenacylsulfanyl-3-phenylpyrimidin-4-one
PubChem CID135402231
Molecular FormulaC18H14N2O3S
Molecular Weight338.39 g/mol
Exact Mass338.07
IUPAC Name6-hydroxy-2-phenacylsulfanyl-3-phenylpyrimidin-4-one
SMILESO=C(CSc1nc(O)cc(=O)n1-c1ccccc1)c1ccccc1
InChIInChI=1S/C18H14N2O3S/c21-15(13-7-3-1-4-8-13)12-24-18-19-16(22)11-17(23)20(18)14-9-5-2-6-10-14/h1-11,22H,12H2
InChIKeyVDCYTIVGJJHLSQ-UHFFFAOYSA-N
XLogP2.91
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-ethylsulfanyl-6-hydroxy-3-phenylpyrimidin-4-one
CID 135402235
2-(4-hydroxy-6-oxo-1-phenylpyrimidin-2-yl)sulfanyl-N-phenylacetamide
CID 135408913
2-[(5-phenacylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-phenylethanone
CID 15879978
6-(4-hydroxy-3-methoxyphenyl)-2-phenacylsulfanyl-3-phenylpyrimidin-4-one;hydrobromide
CID 90486508
6-ethyl-2-phenacylsulfanyl-3-phenylthieno[2,3-d]pyrimidin-4-one
CID 1049646
6-bromo-2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-3-phenylquinazolin-4-one
CID 2983129
2-benzylsulfanyl-3-(4-fluorophenyl)-6-hydroxypyrimidin-4-one
CID 135510983
N-benzhydryl-2-[1-(4-fluorophenyl)-4-hydroxy-6-oxopyrimidin-2-yl]sulfanylacetamide
CID 137118905
2-[1-(4-chlorophenyl)-4-hydroxy-6-oxopyrimidin-2-yl]sulfanylacetamide
CID 137100075
3-(4-nitrophenyl)-2-phenacylsulfanylquinazolin-4-one
CID 4181796
7-(4-methylpiperazine-1-carbonyl)-2-phenacylsulfanyl-3-phenylquinazolin-4-one
CID 23992941
(6R)-6-methyl-2-phenacylsulfanyl-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
CID 7158554

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-2-phenacylsulfanyl-3-phenylpyrimidin-4-one?
The IUPAC name of 6-hydroxy-2-phenacylsulfanyl-3-phenylpyrimidin-4-one (CID 135402231) is 6-hydroxy-2-phenacylsulfanyl-3-phenylpyrimidin-4-one.
What is the SMILES notation for 6-hydroxy-2-phenacylsulfanyl-3-phenylpyrimidin-4-one?
The canonical SMILES for 6-hydroxy-2-phenacylsulfanyl-3-phenylpyrimidin-4-one is O=C(CSc1nc(O)cc(=O)n1-c1ccccc1)c1ccccc1.
What is the InChIKey of 6-hydroxy-2-phenacylsulfanyl-3-phenylpyrimidin-4-one?
The InChIKey is VDCYTIVGJJHLSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O3S/c21-15(13-7-3-1-4-8-13)12-24-18-19-16(22)11-17(23)20(18)14-9-5-2-6-10-14/h1-11,22H,12H2.
What are the key properties of 6-hydroxy-2-phenacylsulfanyl-3-phenylpyrimidin-4-one?
6-hydroxy-2-phenacylsulfanyl-3-phenylpyrimidin-4-one has a molecular weight of 338.39 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-2-phenacylsulfanyl-3-phenylpyrimidin-4-one is sourced from PubChem (CID 135402231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).