5-ethyl-6-hydroxy-1-(2-methylsulfonylethyl)pyrimidine-2,4-dione

C9H14N2O5S — CID 112599612

IUPAC5-ethyl-6-hydroxy-1-(2-methylsulfonylethyl)pyrimidine-2,4-dione
SMILESCCc1c(O)n(CCS(C)(=O)=O)c(=O)[nH]c1=O
InChIInChI=1S/C9H14N2O5S/c1-3-6-7(12)10-9(14)11(8(6)13)4-5-17(2,15)16/h13H,3-5H2,1-2H3,(H,10,12,14)
InChIKeyKSFHELKCMRHLDO-UHFFFAOYSA-N
MW262.29 g/mol
LogP-1.15
Rot. Bonds4

About 5-ethyl-6-hydroxy-1-(2-methylsulfonylethyl)pyrimidine-2,4-dione

5-ethyl-6-hydroxy-1-(2-methylsulfonylethyl)pyrimidine-2,4-dione (PubChem CID 112599612) has the molecular formula C9H14N2O5S and a molecular weight of 262.29 g/mol. Its IUPAC name is 5-ethyl-6-hydroxy-1-(2-methylsulfonylethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-ethyl-6-hydroxy-1-(2-methylsulfonylethyl)pyrimidine-2,4-dione
PubChem CID112599612
Molecular FormulaC9H14N2O5S
Molecular Weight262.29 g/mol
Exact Mass262.06
IUPAC Name5-ethyl-6-hydroxy-1-(2-methylsulfonylethyl)pyrimidine-2,4-dione
SMILESCCc1c(O)n(CCS(C)(=O)=O)c(=O)[nH]c1=O
InChIInChI=1S/C9H14N2O5S/c1-3-6-7(12)10-9(14)11(8(6)13)4-5-17(2,15)16/h13H,3-5H2,1-2H3,(H,10,12,14)
InChIKeyKSFHELKCMRHLDO-UHFFFAOYSA-N
XLogP-1.15
TPSA109.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 5-1.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-decyl-5-ethyl-6-hydroxypyrimidine-2,4-dione
CID 115948792
methyl 3-(5-ethyl-6-hydroxy-2,4-dioxopyrimidin-1-yl)propanoate
CID 112599658
5-ethyl-6-hydroxy-1-(2-methylprop-2-enyl)pyrimidine-2,4-dione
CID 114619425
5-ethyl-6-hydroxy-1-[2-(1-methylpyrazol-3-yl)ethyl]pyrimidine-2,4-dione
CID 106106946
5-ethyl-1-[2-(4-fluorophenyl)ethyl]-6-hydroxypyrimidine-2,4-dione
CID 115946414
1-(3-cyclopentylpropyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione
CID 106006233
5-ethyl-6-hydroxy-1-[2-(oxolan-2-yl)ethyl]pyrimidine-2,4-dione
CID 112600120
1-(cyclopentylmethyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione
CID 112599268
5-ethyl-1-[(4-ethylcyclohexyl)methyl]-6-hydroxypyrimidine-2,4-dione
CID 115947652
N-cyclopropyl-4-(5-ethyl-6-hydroxy-2,4-dioxopyrimidin-1-yl)butanamide
CID 115948702
5-ethyl-1-(3-methylsulfonylpropyl)pyrimidine-2,4-dione
CID 66330325
1-[(2-bromophenyl)methyl]-5-ethyl-6-hydroxypyrimidine-2,4-dione
CID 112600325

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-6-hydroxy-1-(2-methylsulfonylethyl)pyrimidine-2,4-dione?
The IUPAC name of 5-ethyl-6-hydroxy-1-(2-methylsulfonylethyl)pyrimidine-2,4-dione (CID 112599612) is 5-ethyl-6-hydroxy-1-(2-methylsulfonylethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 5-ethyl-6-hydroxy-1-(2-methylsulfonylethyl)pyrimidine-2,4-dione?
The canonical SMILES for 5-ethyl-6-hydroxy-1-(2-methylsulfonylethyl)pyrimidine-2,4-dione is CCc1c(O)n(CCS(C)(=O)=O)c(=O)[nH]c1=O.
What is the InChIKey of 5-ethyl-6-hydroxy-1-(2-methylsulfonylethyl)pyrimidine-2,4-dione?
The InChIKey is KSFHELKCMRHLDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O5S/c1-3-6-7(12)10-9(14)11(8(6)13)4-5-17(2,15)16/h13H,3-5H2,1-2H3,(H,10,12,14).
What are the key properties of 5-ethyl-6-hydroxy-1-(2-methylsulfonylethyl)pyrimidine-2,4-dione?
5-ethyl-6-hydroxy-1-(2-methylsulfonylethyl)pyrimidine-2,4-dione has a molecular weight of 262.29 g/mol, XLogP of -1.15, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-6-hydroxy-1-(2-methylsulfonylethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 112599612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).