1-(1,1-dioxothian-4-yl)-5-ethyl-6-hydroxypyrimidine-2,4-dione

C11H16N2O5S — CID 112599467

IUPAC1-(1,1-dioxothian-4-yl)-5-ethyl-6-hydroxypyrimidine-2,4-dione
SMILESCCc1c(O)n(C2CCS(=O)(=O)CC2)c(=O)[nH]c1=O
InChIInChI=1S/C11H16N2O5S/c1-2-8-9(14)12-11(16)13(10(8)15)7-3-5-19(17,18)6-4-7/h7,15H,2-6H2,1H3,(H,12,14,16)
InChIKeyFZQFUWPTFJHBOZ-UHFFFAOYSA-N
MW288.32 g/mol
LogP-0.45
Rot. Bonds2

About 1-(1,1-dioxothian-4-yl)-5-ethyl-6-hydroxypyrimidine-2,4-dione

1-(1,1-dioxothian-4-yl)-5-ethyl-6-hydroxypyrimidine-2,4-dione (PubChem CID 112599467) has the molecular formula C11H16N2O5S and a molecular weight of 288.32 g/mol. Its IUPAC name is 1-(1,1-dioxothian-4-yl)-5-ethyl-6-hydroxypyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(1,1-dioxothian-4-yl)-5-ethyl-6-hydroxypyrimidine-2,4-dione
PubChem CID112599467
Molecular FormulaC11H16N2O5S
Molecular Weight288.32 g/mol
Exact Mass288.08
IUPAC Name1-(1,1-dioxothian-4-yl)-5-ethyl-6-hydroxypyrimidine-2,4-dione
SMILESCCc1c(O)n(C2CCS(=O)(=O)CC2)c(=O)[nH]c1=O
InChIInChI=1S/C11H16N2O5S/c1-2-8-9(14)12-11(16)13(10(8)15)7-3-5-19(17,18)6-4-7/h7,15H,2-6H2,1H3,(H,12,14,16)
InChIKeyFZQFUWPTFJHBOZ-UHFFFAOYSA-N
XLogP-0.45
TPSA109.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-ethyl-6-hydroxy-1-(3-methylcyclopentyl)pyrimidine-2,4-dione
CID 114542387
5-ethyl-1-(1-ethylpiperidin-3-yl)-6-hydroxypyrimidine-2,4-dione
CID 112599829
1-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-5-ethyl-6-hydroxypyrimidine-2,4-dione
CID 115948940
1-(1-cyclopropylethyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione
CID 112599311
1-cycloheptyl-6-hydroxy-5-propanoylpyrimidine-2,4-dione
CID 662685
1-(cyclopentylmethyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione
CID 112599268
5-ethyl-6-hydroxy-1-pentan-3-ylpyrimidine-2,4-dione
CID 112598462
5-ethyl-1-[(4-ethylcyclohexyl)methyl]-6-hydroxypyrimidine-2,4-dione
CID 115947652
5-ethyl-6-hydroxy-1-(1-methylcyclopentyl)pyrimidine-2,4-dione
CID 112601046
3-(1,1-dioxothian-4-yl)-6-hydroxy-1H-benzimidazol-2-one
CID 117207061
5-ethyl-6-hydroxy-1-(2-methylprop-2-enyl)pyrimidine-2,4-dione
CID 114619425
1-(3-cyclopentylpropyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione
CID 106006233

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dioxothian-4-yl)-5-ethyl-6-hydroxypyrimidine-2,4-dione?
The IUPAC name of 1-(1,1-dioxothian-4-yl)-5-ethyl-6-hydroxypyrimidine-2,4-dione (CID 112599467) is 1-(1,1-dioxothian-4-yl)-5-ethyl-6-hydroxypyrimidine-2,4-dione.
What is the SMILES notation for 1-(1,1-dioxothian-4-yl)-5-ethyl-6-hydroxypyrimidine-2,4-dione?
The canonical SMILES for 1-(1,1-dioxothian-4-yl)-5-ethyl-6-hydroxypyrimidine-2,4-dione is CCc1c(O)n(C2CCS(=O)(=O)CC2)c(=O)[nH]c1=O.
What is the InChIKey of 1-(1,1-dioxothian-4-yl)-5-ethyl-6-hydroxypyrimidine-2,4-dione?
The InChIKey is FZQFUWPTFJHBOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O5S/c1-2-8-9(14)12-11(16)13(10(8)15)7-3-5-19(17,18)6-4-7/h7,15H,2-6H2,1H3,(H,12,14,16).
What are the key properties of 1-(1,1-dioxothian-4-yl)-5-ethyl-6-hydroxypyrimidine-2,4-dione?
1-(1,1-dioxothian-4-yl)-5-ethyl-6-hydroxypyrimidine-2,4-dione has a molecular weight of 288.32 g/mol, XLogP of -0.45, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-dioxothian-4-yl)-5-ethyl-6-hydroxypyrimidine-2,4-dione is sourced from PubChem (CID 112599467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).