5-ethyl-1-(3-oxo-3-piperazin-1-ylpropyl)pyrimidine-2,4-dione

C13H20N4O3 — CID 66329516

IUPAC5-ethyl-1-(3-oxo-3-piperazin-1-ylpropyl)pyrimidine-2,4-dione
SMILESCCc1cn(CCC(=O)N2CCNCC2)c(=O)[nH]c1=O
InChIInChI=1S/C13H20N4O3/c1-2-10-9-17(13(20)15-12(10)19)6-3-11(18)16-7-4-14-5-8-16/h9,14H,2-8H2,1H3,(H,15,19,20)
InChIKeyNLEIQVZXLAIOHO-UHFFFAOYSA-N
MW280.33 g/mol
LogP-1.08
Rot. Bonds4

About 5-ethyl-1-(3-oxo-3-piperazin-1-ylpropyl)pyrimidine-2,4-dione

5-ethyl-1-(3-oxo-3-piperazin-1-ylpropyl)pyrimidine-2,4-dione (PubChem CID 66329516) has the molecular formula C13H20N4O3 and a molecular weight of 280.33 g/mol. Its IUPAC name is 5-ethyl-1-(3-oxo-3-piperazin-1-ylpropyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-ethyl-1-(3-oxo-3-piperazin-1-ylpropyl)pyrimidine-2,4-dione
PubChem CID66329516
Molecular FormulaC13H20N4O3
Molecular Weight280.33 g/mol
Exact Mass280.15
IUPAC Name5-ethyl-1-(3-oxo-3-piperazin-1-ylpropyl)pyrimidine-2,4-dione
SMILESCCc1cn(CCC(=O)N2CCNCC2)c(=O)[nH]c1=O
InChIInChI=1S/C13H20N4O3/c1-2-10-9-17(13(20)15-12(10)19)6-3-11(18)16-7-4-14-5-8-16/h9,14H,2-8H2,1H3,(H,15,19,20)
InChIKeyNLEIQVZXLAIOHO-UHFFFAOYSA-N
XLogP-1.08
TPSA87.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 5-1.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-(3-oxo-3-piperazin-1-ylpropyl)pyrimidine-2,4-dione?
The IUPAC name of 5-ethyl-1-(3-oxo-3-piperazin-1-ylpropyl)pyrimidine-2,4-dione (CID 66329516) is 5-ethyl-1-(3-oxo-3-piperazin-1-ylpropyl)pyrimidine-2,4-dione.
What is the SMILES notation for 5-ethyl-1-(3-oxo-3-piperazin-1-ylpropyl)pyrimidine-2,4-dione?
The canonical SMILES for 5-ethyl-1-(3-oxo-3-piperazin-1-ylpropyl)pyrimidine-2,4-dione is CCc1cn(CCC(=O)N2CCNCC2)c(=O)[nH]c1=O.
What is the InChIKey of 5-ethyl-1-(3-oxo-3-piperazin-1-ylpropyl)pyrimidine-2,4-dione?
The InChIKey is NLEIQVZXLAIOHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3/c1-2-10-9-17(13(20)15-12(10)19)6-3-11(18)16-7-4-14-5-8-16/h9,14H,2-8H2,1H3,(H,15,19,20).
What are the key properties of 5-ethyl-1-(3-oxo-3-piperazin-1-ylpropyl)pyrimidine-2,4-dione?
5-ethyl-1-(3-oxo-3-piperazin-1-ylpropyl)pyrimidine-2,4-dione has a molecular weight of 280.33 g/mol, XLogP of -1.08, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-(3-oxo-3-piperazin-1-ylpropyl)pyrimidine-2,4-dione is sourced from PubChem (CID 66329516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).