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

C13H21N3O2 — CID 66329914

IUPAC5-ethyl-1-(2-piperidin-3-ylethyl)pyrimidine-2,4-dione
SMILESCCc1cn(CCC2CCCNC2)c(=O)[nH]c1=O
InChIInChI=1S/C13H21N3O2/c1-2-11-9-16(13(18)15-12(11)17)7-5-10-4-3-6-14-8-10/h9-10,14H,2-8H2,1H3,(H,15,17,18)
InChIKeyJFERKBWCQHKCNU-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.49
Rot. Bonds4

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

5-ethyl-1-(2-piperidin-3-ylethyl)pyrimidine-2,4-dione (PubChem CID 66329914) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 5-ethyl-1-(2-piperidin-3-ylethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-ethyl-1-(2-piperidin-3-ylethyl)pyrimidine-2,4-dione
PubChem CID66329914
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name5-ethyl-1-(2-piperidin-3-ylethyl)pyrimidine-2,4-dione
SMILESCCc1cn(CCC2CCCNC2)c(=O)[nH]c1=O
InChIInChI=1S/C13H21N3O2/c1-2-11-9-16(13(18)15-12(11)17)7-5-10-4-3-6-14-8-10/h9-10,14H,2-8H2,1H3,(H,15,17,18)
InChIKeyJFERKBWCQHKCNU-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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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-(2-piperidin-3-ylethyl)pyrimidine-2,4-dione?
The IUPAC name of 5-ethyl-1-(2-piperidin-3-ylethyl)pyrimidine-2,4-dione (CID 66329914) is 5-ethyl-1-(2-piperidin-3-ylethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 5-ethyl-1-(2-piperidin-3-ylethyl)pyrimidine-2,4-dione?
The canonical SMILES for 5-ethyl-1-(2-piperidin-3-ylethyl)pyrimidine-2,4-dione is CCc1cn(CCC2CCCNC2)c(=O)[nH]c1=O.
What is the InChIKey of 5-ethyl-1-(2-piperidin-3-ylethyl)pyrimidine-2,4-dione?
The InChIKey is JFERKBWCQHKCNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-2-11-9-16(13(18)15-12(11)17)7-5-10-4-3-6-14-8-10/h9-10,14H,2-8H2,1H3,(H,15,17,18).
What are the key properties of 5-ethyl-1-(2-piperidin-3-ylethyl)pyrimidine-2,4-dione?
5-ethyl-1-(2-piperidin-3-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-3-ylethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 66329914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).