5-ethyl-1-[2-(2-methylsulfonylethylamino)ethyl]pyrimidine-2,4-dione

C11H19N3O4S — CID 66330519

IUPAC5-ethyl-1-[2-(2-methylsulfonylethylamino)ethyl]pyrimidine-2,4-dione
SMILESCCc1cn(CCNCCS(C)(=O)=O)c(=O)[nH]c1=O
InChIInChI=1S/C11H19N3O4S/c1-3-9-8-14(11(16)13-10(9)15)6-4-12-5-7-19(2,17)18/h8,12H,3-7H2,1-2H3,(H,13,15,16)
InChIKeyCDJWXOWCUMRUER-UHFFFAOYSA-N
MW289.36 g/mol
LogP-1.27
Rot. Bonds7

About 5-ethyl-1-[2-(2-methylsulfonylethylamino)ethyl]pyrimidine-2,4-dione

5-ethyl-1-[2-(2-methylsulfonylethylamino)ethyl]pyrimidine-2,4-dione (PubChem CID 66330519) has the molecular formula C11H19N3O4S and a molecular weight of 289.36 g/mol. Its IUPAC name is 5-ethyl-1-[2-(2-methylsulfonylethylamino)ethyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-ethyl-1-[2-(2-methylsulfonylethylamino)ethyl]pyrimidine-2,4-dione
PubChem CID66330519
Molecular FormulaC11H19N3O4S
Molecular Weight289.36 g/mol
Exact Mass289.11
IUPAC Name5-ethyl-1-[2-(2-methylsulfonylethylamino)ethyl]pyrimidine-2,4-dione
SMILESCCc1cn(CCNCCS(C)(=O)=O)c(=O)[nH]c1=O
InChIInChI=1S/C11H19N3O4S/c1-3-9-8-14(11(16)13-10(9)15)6-4-12-5-7-19(2,17)18/h8,12H,3-7H2,1-2H3,(H,13,15,16)
InChIKeyCDJWXOWCUMRUER-UHFFFAOYSA-N
XLogP-1.27
TPSA101.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 5-1.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-[2-(2-methylsulfonylethylamino)ethyl]pyrimidine-2,4-dione?
The IUPAC name of 5-ethyl-1-[2-(2-methylsulfonylethylamino)ethyl]pyrimidine-2,4-dione (CID 66330519) is 5-ethyl-1-[2-(2-methylsulfonylethylamino)ethyl]pyrimidine-2,4-dione.
What is the SMILES notation for 5-ethyl-1-[2-(2-methylsulfonylethylamino)ethyl]pyrimidine-2,4-dione?
The canonical SMILES for 5-ethyl-1-[2-(2-methylsulfonylethylamino)ethyl]pyrimidine-2,4-dione is CCc1cn(CCNCCS(C)(=O)=O)c(=O)[nH]c1=O.
What is the InChIKey of 5-ethyl-1-[2-(2-methylsulfonylethylamino)ethyl]pyrimidine-2,4-dione?
The InChIKey is CDJWXOWCUMRUER-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O4S/c1-3-9-8-14(11(16)13-10(9)15)6-4-12-5-7-19(2,17)18/h8,12H,3-7H2,1-2H3,(H,13,15,16).
What are the key properties of 5-ethyl-1-[2-(2-methylsulfonylethylamino)ethyl]pyrimidine-2,4-dione?
5-ethyl-1-[2-(2-methylsulfonylethylamino)ethyl]pyrimidine-2,4-dione has a molecular weight of 289.36 g/mol, XLogP of -1.27, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-[2-(2-methylsulfonylethylamino)ethyl]pyrimidine-2,4-dione is sourced from PubChem (CID 66330519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).