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

C13H21N3O2 — CID 105061168

IUPAC1-ethyl-3-(2-piperidin-4-ylethyl)pyrimidine-2,4-dione
SMILESCCn1ccc(=O)n(CCC2CCNCC2)c1=O
InChIInChI=1S/C13H21N3O2/c1-2-15-9-6-12(17)16(13(15)18)10-5-11-3-7-14-8-4-11/h6,9,11,14H,2-5,7-8,10H2,1H3
InChIKeyCKNMGMAHNQFNRD-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.42
Rot. Bonds4

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

1-ethyl-3-(2-piperidin-4-ylethyl)pyrimidine-2,4-dione (PubChem CID 105061168) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 1-ethyl-3-(2-piperidin-4-ylethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-ethyl-3-(2-piperidin-4-ylethyl)pyrimidine-2,4-dione
PubChem CID105061168
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name1-ethyl-3-(2-piperidin-4-ylethyl)pyrimidine-2,4-dione
SMILESCCn1ccc(=O)n(CCC2CCNCC2)c1=O
InChIInChI=1S/C13H21N3O2/c1-2-15-9-6-12(17)16(13(15)18)10-5-11-3-7-14-8-4-11/h6,9,11,14H,2-5,7-8,10H2,1H3
InChIKeyCKNMGMAHNQFNRD-UHFFFAOYSA-N
XLogP0.42
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(2-piperidin-4-ylethyl)pyrimidine-2,4-dione?
The IUPAC name of 1-ethyl-3-(2-piperidin-4-ylethyl)pyrimidine-2,4-dione (CID 105061168) is 1-ethyl-3-(2-piperidin-4-ylethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 1-ethyl-3-(2-piperidin-4-ylethyl)pyrimidine-2,4-dione?
The canonical SMILES for 1-ethyl-3-(2-piperidin-4-ylethyl)pyrimidine-2,4-dione is CCn1ccc(=O)n(CCC2CCNCC2)c1=O.
What is the InChIKey of 1-ethyl-3-(2-piperidin-4-ylethyl)pyrimidine-2,4-dione?
The InChIKey is CKNMGMAHNQFNRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-2-15-9-6-12(17)16(13(15)18)10-5-11-3-7-14-8-4-11/h6,9,11,14H,2-5,7-8,10H2,1H3.
What are the key properties of 1-ethyl-3-(2-piperidin-4-ylethyl)pyrimidine-2,4-dione?
1-ethyl-3-(2-piperidin-4-ylethyl)pyrimidine-2,4-dione has a molecular weight of 251.33 g/mol, XLogP of 0.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(2-piperidin-4-ylethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 105061168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).