1-ethyl-3-(3-ethylsulfonylpropyl)pyrimidine-2,4-dione

C11H18N2O4S — CID 65097190

IUPAC1-ethyl-3-(3-ethylsulfonylpropyl)pyrimidine-2,4-dione
SMILESCCn1ccc(=O)n(CCCS(=O)(=O)CC)c1=O
InChIInChI=1S/C11H18N2O4S/c1-3-12-8-6-10(14)13(11(12)15)7-5-9-18(16,17)4-2/h6,8H,3-5,7,9H2,1-2H3
InChIKeyLTMIAPFZBVAIIE-UHFFFAOYSA-N
MW274.34 g/mol
LogP-0.15
Rot. Bonds6

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

1-ethyl-3-(3-ethylsulfonylpropyl)pyrimidine-2,4-dione (PubChem CID 65097190) has the molecular formula C11H18N2O4S and a molecular weight of 274.34 g/mol. Its IUPAC name is 1-ethyl-3-(3-ethylsulfonylpropyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-ethyl-3-(3-ethylsulfonylpropyl)pyrimidine-2,4-dione
PubChem CID65097190
Molecular FormulaC11H18N2O4S
Molecular Weight274.34 g/mol
Exact Mass274.10
IUPAC Name1-ethyl-3-(3-ethylsulfonylpropyl)pyrimidine-2,4-dione
SMILESCCn1ccc(=O)n(CCCS(=O)(=O)CC)c1=O
InChIInChI=1S/C11H18N2O4S/c1-3-12-8-6-10(14)13(11(12)15)7-5-9-18(16,17)4-2/h6,8H,3-5,7,9H2,1-2H3
InChIKeyLTMIAPFZBVAIIE-UHFFFAOYSA-N
XLogP-0.15
TPSA78.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 5-0.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(3-ethylsulfonylpropyl)pyrimidine-2,4-dione?
The IUPAC name of 1-ethyl-3-(3-ethylsulfonylpropyl)pyrimidine-2,4-dione (CID 65097190) is 1-ethyl-3-(3-ethylsulfonylpropyl)pyrimidine-2,4-dione.
What is the SMILES notation for 1-ethyl-3-(3-ethylsulfonylpropyl)pyrimidine-2,4-dione?
The canonical SMILES for 1-ethyl-3-(3-ethylsulfonylpropyl)pyrimidine-2,4-dione is CCn1ccc(=O)n(CCCS(=O)(=O)CC)c1=O.
What is the InChIKey of 1-ethyl-3-(3-ethylsulfonylpropyl)pyrimidine-2,4-dione?
The InChIKey is LTMIAPFZBVAIIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4S/c1-3-12-8-6-10(14)13(11(12)15)7-5-9-18(16,17)4-2/h6,8H,3-5,7,9H2,1-2H3.
What are the key properties of 1-ethyl-3-(3-ethylsulfonylpropyl)pyrimidine-2,4-dione?
1-ethyl-3-(3-ethylsulfonylpropyl)pyrimidine-2,4-dione has a molecular weight of 274.34 g/mol, XLogP of -0.15, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(3-ethylsulfonylpropyl)pyrimidine-2,4-dione is sourced from PubChem (CID 65097190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).