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

C20H18N2O3S — CID 135485280

IUPAC5-ethyl-6-hydroxy-2-phenacylsulfanyl-3-phenylpyrimidin-4-one
SMILESCCc1c(O)nc(SCC(=O)c2ccccc2)n(-c2ccccc2)c1=O
InChIInChI=1S/C20H18N2O3S/c1-2-16-18(24)21-20(22(19(16)25)15-11-7-4-8-12-15)26-13-17(23)14-9-5-3-6-10-14/h3-12,24H,2,13H2,1H3
InChIKeyAHOPMFJGWXDUOV-UHFFFAOYSA-N
MW366.44 g/mol
LogP3.48
Rot. Bonds6

About 5-ethyl-6-hydroxy-2-phenacylsulfanyl-3-phenylpyrimidin-4-one

5-ethyl-6-hydroxy-2-phenacylsulfanyl-3-phenylpyrimidin-4-one (PubChem CID 135485280) has the molecular formula C20H18N2O3S and a molecular weight of 366.44 g/mol. Its IUPAC name is 5-ethyl-6-hydroxy-2-phenacylsulfanyl-3-phenylpyrimidin-4-one.

Molecular Properties

Compound Name5-ethyl-6-hydroxy-2-phenacylsulfanyl-3-phenylpyrimidin-4-one
PubChem CID135485280
Molecular FormulaC20H18N2O3S
Molecular Weight366.44 g/mol
Exact Mass366.10
IUPAC Name5-ethyl-6-hydroxy-2-phenacylsulfanyl-3-phenylpyrimidin-4-one
SMILESCCc1c(O)nc(SCC(=O)c2ccccc2)n(-c2ccccc2)c1=O
InChIInChI=1S/C20H18N2O3S/c1-2-16-18(24)21-20(22(19(16)25)15-11-7-4-8-12-15)26-13-17(23)14-9-5-3-6-10-14/h3-12,24H,2,13H2,1H3
InChIKeyAHOPMFJGWXDUOV-UHFFFAOYSA-N
XLogP3.48
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-Benzylsulfanyl-3-phenylquinazolin-4-one
CID 806148
4(3H)-Quinazolinone, 2-(ethylthio)-3-phenyl-
CID 63761
4(3H)-Quinazolinone, 2-methylthio-3-phenyl-
CID 64035
2-(4-Oxo-3-phenyl-3,4-dihydro-quinazolin-2-ylsulfanyl)-acetamide
CID 680931
2-[(3-methyl-4-oxo-2-quinazolinyl)thio]-N-phenylacetamide
CID 855776
2-[2-(Azetidin-1-yl)-2-oxoethyl]sulfanyl-3-phenylquinazolin-4-one
CID 2456205
2-[(5-benzyl-4-hydroxy-6-methylpyrimidin-2-yl)sulfanyl]-N-(4-methylphenyl)acetamide
CID 135419136
N-phenyl-N-(4,5,6,7-tetrahydro-1,3-thiazepin-2-yl)benzamide
CID 820120
3-phenyl-2-(prop-2-yn-1-ylthio)quinazolin-4(3H)-one
CID 1856731
2-{[5-benzyl-4-hydroxy-1-(4-methylphenyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N,N-diethylacetamide
CID 135465278
2-[(5-benzyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-phenylacetamide
CID 1379557
Acetamide, 2-((3,4-dihydro-3-(2-methylphenyl)-4-oxo-2-quinazolinyl)thio)-
CID 921905

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-6-hydroxy-2-phenacylsulfanyl-3-phenylpyrimidin-4-one?
The IUPAC name of 5-ethyl-6-hydroxy-2-phenacylsulfanyl-3-phenylpyrimidin-4-one (CID 135485280) is 5-ethyl-6-hydroxy-2-phenacylsulfanyl-3-phenylpyrimidin-4-one.
What is the SMILES notation for 5-ethyl-6-hydroxy-2-phenacylsulfanyl-3-phenylpyrimidin-4-one?
The canonical SMILES for 5-ethyl-6-hydroxy-2-phenacylsulfanyl-3-phenylpyrimidin-4-one is CCc1c(O)nc(SCC(=O)c2ccccc2)n(-c2ccccc2)c1=O.
What is the InChIKey of 5-ethyl-6-hydroxy-2-phenacylsulfanyl-3-phenylpyrimidin-4-one?
The InChIKey is AHOPMFJGWXDUOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O3S/c1-2-16-18(24)21-20(22(19(16)25)15-11-7-4-8-12-15)26-13-17(23)14-9-5-3-6-10-14/h3-12,24H,2,13H2,1H3.
What are the key properties of 5-ethyl-6-hydroxy-2-phenacylsulfanyl-3-phenylpyrimidin-4-one?
5-ethyl-6-hydroxy-2-phenacylsulfanyl-3-phenylpyrimidin-4-one has a molecular weight of 366.44 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-6-hydroxy-2-phenacylsulfanyl-3-phenylpyrimidin-4-one is sourced from PubChem (CID 135485280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).