5-ethyl-1-(2-piperidin-4-ylethyl)pyrimidine-2,4-dione

C13H21N3O2 — CID 105061182

IUPAC5-ethyl-1-(2-piperidin-4-ylethyl)pyrimidine-2,4-dione
SMILESCCc1cn(CCC2CCNCC2)c(=O)[nH]c1=O
InChIInChI=1S/C13H21N3O2/c1-2-11-9-16(13(18)15-12(11)17)8-5-10-3-6-14-7-4-10/h9-10,14H,2-8H2,1H3,(H,15,17,18)
InChIKeyJOHOFCADZXAUFR-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.49
Rot. Bonds4

About 5-ethyl-1-(2-piperidin-4-ylethyl)pyrimidine-2,4-dione

5-ethyl-1-(2-piperidin-4-ylethyl)pyrimidine-2,4-dione (PubChem CID 105061182) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 5-ethyl-1-(2-piperidin-4-ylethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-ethyl-1-(2-piperidin-4-ylethyl)pyrimidine-2,4-dione
PubChem CID105061182
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name5-ethyl-1-(2-piperidin-4-ylethyl)pyrimidine-2,4-dione
SMILESCCc1cn(CCC2CCNCC2)c(=O)[nH]c1=O
InChIInChI=1S/C13H21N3O2/c1-2-11-9-16(13(18)15-12(11)17)8-5-10-3-6-14-7-4-10/h9-10,14H,2-8H2,1H3,(H,15,17,18)
InChIKeyJOHOFCADZXAUFR-UHFFFAOYSA-N
XLogP0.49
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-ethyl-N-hexyl-2,4-dioxopyrimidine-1-carboxamide
CID 71654884
5-sec-Butyluracil
CID 587021
1-(5-Aminopentyl)thymine
CID 21791485
1-[(2Z)-2-fluoro-2-(2-oxopiperidin-4-ylidene)ethyl]-5-methylpyrimidine-2,4-dione
CID 11219343
5-Fluoro-1-(piperidin-4-ylmethyl)pyrimidine-2,4-dione
CID 63557589
5-Fluoro-1-(2-piperidin-4-ylethyl)pyrimidine-2,4-dione
CID 105061164
1-[2-(4-Ethenylpiperidin-1-yl)ethyl]-5-methylpyrimidine-2,4(1H,3H)-dione
CID 54607276
5-[2-(1'-methyl-4,4'-bipiperidin-1-yl)-2-oxoethyl]-2,4(1H,3H)-pyrimidinedione
CID 72875435
3-butyl-5-ethyl-1H-pyrimidine-2,4-dione
CID 18342188
1-Ethyl-5-propan-2-ylpyrimidine-2,4-dione
CID 57680828
3,5-di(propan-2-yl)-1H-pyrimidine-2,4-dione
CID 58567619
5-Propan-2-yl-1-propylpyrimidine-2,4-dione
CID 58592724

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-(2-piperidin-4-ylethyl)pyrimidine-2,4-dione?
The IUPAC name of 5-ethyl-1-(2-piperidin-4-ylethyl)pyrimidine-2,4-dione (CID 105061182) is 5-ethyl-1-(2-piperidin-4-ylethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 5-ethyl-1-(2-piperidin-4-ylethyl)pyrimidine-2,4-dione?
The canonical SMILES for 5-ethyl-1-(2-piperidin-4-ylethyl)pyrimidine-2,4-dione is CCc1cn(CCC2CCNCC2)c(=O)[nH]c1=O.
What is the InChIKey of 5-ethyl-1-(2-piperidin-4-ylethyl)pyrimidine-2,4-dione?
The InChIKey is JOHOFCADZXAUFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-2-11-9-16(13(18)15-12(11)17)8-5-10-3-6-14-7-4-10/h9-10,14H,2-8H2,1H3,(H,15,17,18).
What are the key properties of 5-ethyl-1-(2-piperidin-4-ylethyl)pyrimidine-2,4-dione?
5-ethyl-1-(2-piperidin-4-ylethyl)pyrimidine-2,4-dione has a molecular weight of 251.33 g/mol, XLogP of 0.49, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-(2-piperidin-4-ylethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 105061182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).