2-[2-(diethylamino)ethylsulfanyl]-5-ethyl-6-hydroxy-3-phenylpyrimidin-4-one

C18H25N3O2S — CID 135438874

IUPAC2-[2-(diethylamino)ethylsulfanyl]-5-ethyl-6-hydroxy-3-phenylpyrimidin-4-one
SMILESCCc1c(O)nc(SCCN(CC)CC)n(-c2ccccc2)c1=O
InChIInChI=1S/C18H25N3O2S/c1-4-15-16(22)19-18(24-13-12-20(5-2)6-3)21(17(15)23)14-10-8-7-9-11-14/h7-11,22H,4-6,12-13H2,1-3H3
InChIKeyZJGPXOYLRPOMHV-UHFFFAOYSA-N
MW347.48 g/mol
LogP2.93
Rot. Bonds8

About 2-[2-(diethylamino)ethylsulfanyl]-5-ethyl-6-hydroxy-3-phenylpyrimidin-4-one

2-[2-(diethylamino)ethylsulfanyl]-5-ethyl-6-hydroxy-3-phenylpyrimidin-4-one (PubChem CID 135438874) has the molecular formula C18H25N3O2S and a molecular weight of 347.48 g/mol. Its IUPAC name is 2-[2-(diethylamino)ethylsulfanyl]-5-ethyl-6-hydroxy-3-phenylpyrimidin-4-one.

Molecular Properties

Compound Name2-[2-(diethylamino)ethylsulfanyl]-5-ethyl-6-hydroxy-3-phenylpyrimidin-4-one
PubChem CID135438874
Molecular FormulaC18H25N3O2S
Molecular Weight347.48 g/mol
Exact Mass347.17
IUPAC Name2-[2-(diethylamino)ethylsulfanyl]-5-ethyl-6-hydroxy-3-phenylpyrimidin-4-one
SMILESCCc1c(O)nc(SCCN(CC)CC)n(-c2ccccc2)c1=O
InChIInChI=1S/C18H25N3O2S/c1-4-15-16(22)19-18(24-13-12-20(5-2)6-3)21(17(15)23)14-10-8-7-9-11-14/h7-11,22H,4-6,12-13H2,1-3H3
InChIKeyZJGPXOYLRPOMHV-UHFFFAOYSA-N
XLogP2.93
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.48
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-butan-2-ylsulfanyl-5-ethyl-6-hydroxy-3-phenylpyrimidin-4-one
CID 135458838
diethyl-[2-(4-hydroxy-6-oxo-5-pentyl-1-phenylpyrimidin-2-yl)sulfanylethyl]azanium
CID 135542303
diethyl-[2-(5-heptyl-4-hydroxy-6-oxo-1-phenylpyrimidin-2-yl)sulfanylethyl]azanium chloride
CID 135959632
5-ethyl-6-hydroxy-3-(4-methylphenyl)-2-prop-2-enylsulfanylpyrimidin-4-one
CID 135494817
6-hydroxy-2-(2-morpholin-4-ylethylsulfanyl)-5-pentyl-3-phenylpyrimidin-4-one;hydrochloride
CID 137104146
5-ethyl-6-hydroxy-3-(2-methylphenyl)-2-phenacylsulfanylpyrimidin-4-one
CID 135459335
ethyl 2-[2-(diethylamino)ethylsulfanyl]-7-methyl-4-oxo-1-phenylpyrido[2,3-d]pyrimidine-6-carboxylate
CID 3076505
6-hydroxy-5-(3-methylbutyl)-2-(2-morpholin-4-ylethylsulfanyl)-3-phenylpyrimidin-4-one
CID 135438914
2-[[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-5-ethyl-6-hydroxy-3-(3-methoxyphenyl)pyrimidin-4-one
CID 166322594
3-ethyl-4-hydroxy-1-phenylquinolin-2-one
CID 54677985
2-ethylsulfanyl-6-hydroxy-3-phenylpyrimidin-4-one
CID 135402235
2-[5-benzyl-4-hydroxy-1-(2-methylphenyl)-6-oxopyrimidin-2-yl]sulfanyl-N,N-diethylacetamide
CID 135427411

Frequently Asked Questions

What is the IUPAC name of 2-[2-(diethylamino)ethylsulfanyl]-5-ethyl-6-hydroxy-3-phenylpyrimidin-4-one?
The IUPAC name of 2-[2-(diethylamino)ethylsulfanyl]-5-ethyl-6-hydroxy-3-phenylpyrimidin-4-one (CID 135438874) is 2-[2-(diethylamino)ethylsulfanyl]-5-ethyl-6-hydroxy-3-phenylpyrimidin-4-one.
What is the SMILES notation for 2-[2-(diethylamino)ethylsulfanyl]-5-ethyl-6-hydroxy-3-phenylpyrimidin-4-one?
The canonical SMILES for 2-[2-(diethylamino)ethylsulfanyl]-5-ethyl-6-hydroxy-3-phenylpyrimidin-4-one is CCc1c(O)nc(SCCN(CC)CC)n(-c2ccccc2)c1=O.
What is the InChIKey of 2-[2-(diethylamino)ethylsulfanyl]-5-ethyl-6-hydroxy-3-phenylpyrimidin-4-one?
The InChIKey is ZJGPXOYLRPOMHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2S/c1-4-15-16(22)19-18(24-13-12-20(5-2)6-3)21(17(15)23)14-10-8-7-9-11-14/h7-11,22H,4-6,12-13H2,1-3H3.
What are the key properties of 2-[2-(diethylamino)ethylsulfanyl]-5-ethyl-6-hydroxy-3-phenylpyrimidin-4-one?
2-[2-(diethylamino)ethylsulfanyl]-5-ethyl-6-hydroxy-3-phenylpyrimidin-4-one has a molecular weight of 347.48 g/mol, XLogP of 2.93, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(diethylamino)ethylsulfanyl]-5-ethyl-6-hydroxy-3-phenylpyrimidin-4-one is sourced from PubChem (CID 135438874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).