5-ethyl-1-(3-methylsulfonylpropyl)pyrimidine-2,4-dione

C10H16N2O4S — CID 66330325

IUPAC5-ethyl-1-(3-methylsulfonylpropyl)pyrimidine-2,4-dione
SMILESCCc1cn(CCCS(C)(=O)=O)c(=O)[nH]c1=O
InChIInChI=1S/C10H16N2O4S/c1-3-8-7-12(10(14)11-9(8)13)5-4-6-17(2,15)16/h7H,3-6H2,1-2H3,(H,11,13,14)
InChIKeyVDGPVFQTANJLPK-UHFFFAOYSA-N
MW260.31 g/mol
LogP-0.47
Rot. Bonds5

About 5-ethyl-1-(3-methylsulfonylpropyl)pyrimidine-2,4-dione

5-ethyl-1-(3-methylsulfonylpropyl)pyrimidine-2,4-dione (PubChem CID 66330325) has the molecular formula C10H16N2O4S and a molecular weight of 260.31 g/mol. Its IUPAC name is 5-ethyl-1-(3-methylsulfonylpropyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-ethyl-1-(3-methylsulfonylpropyl)pyrimidine-2,4-dione
PubChem CID66330325
Molecular FormulaC10H16N2O4S
Molecular Weight260.31 g/mol
Exact Mass260.08
IUPAC Name5-ethyl-1-(3-methylsulfonylpropyl)pyrimidine-2,4-dione
SMILESCCc1cn(CCCS(C)(=O)=O)c(=O)[nH]c1=O
InChIInChI=1S/C10H16N2O4S/c1-3-8-7-12(10(14)11-9(8)13)5-4-6-17(2,15)16/h7H,3-6H2,1-2H3,(H,11,13,14)
InChIKeyVDGPVFQTANJLPK-UHFFFAOYSA-N
XLogP-0.47
TPSA89.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 5-0.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-(3-methylsulfonylpropyl)pyrimidine-2,4-dione?
The IUPAC name of 5-ethyl-1-(3-methylsulfonylpropyl)pyrimidine-2,4-dione (CID 66330325) is 5-ethyl-1-(3-methylsulfonylpropyl)pyrimidine-2,4-dione.
What is the SMILES notation for 5-ethyl-1-(3-methylsulfonylpropyl)pyrimidine-2,4-dione?
The canonical SMILES for 5-ethyl-1-(3-methylsulfonylpropyl)pyrimidine-2,4-dione is CCc1cn(CCCS(C)(=O)=O)c(=O)[nH]c1=O.
What is the InChIKey of 5-ethyl-1-(3-methylsulfonylpropyl)pyrimidine-2,4-dione?
The InChIKey is VDGPVFQTANJLPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O4S/c1-3-8-7-12(10(14)11-9(8)13)5-4-6-17(2,15)16/h7H,3-6H2,1-2H3,(H,11,13,14).
What are the key properties of 5-ethyl-1-(3-methylsulfonylpropyl)pyrimidine-2,4-dione?
5-ethyl-1-(3-methylsulfonylpropyl)pyrimidine-2,4-dione has a molecular weight of 260.31 g/mol, XLogP of -0.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-(3-methylsulfonylpropyl)pyrimidine-2,4-dione is sourced from PubChem (CID 66330325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).