5-ethyl-1-(2-oxopentyl)pyrimidine-2,4-dione

C11H16N2O3 — CID 66329519

IUPAC5-ethyl-1-(2-oxopentyl)pyrimidine-2,4-dione
SMILESCCCC(=O)Cn1cc(CC)c(=O)[nH]c1=O
InChIInChI=1S/C11H16N2O3/c1-3-5-9(14)7-13-6-8(4-2)10(15)12-11(13)16/h6H,3-5,7H2,1-2H3,(H,12,15,16)
InChIKeyCUMNZNLXKOWTNC-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.47
Rot. Bonds5

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

5-ethyl-1-(2-oxopentyl)pyrimidine-2,4-dione (PubChem CID 66329519) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 5-ethyl-1-(2-oxopentyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-ethyl-1-(2-oxopentyl)pyrimidine-2,4-dione
PubChem CID66329519
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name5-ethyl-1-(2-oxopentyl)pyrimidine-2,4-dione
SMILESCCCC(=O)Cn1cc(CC)c(=O)[nH]c1=O
InChIInChI=1S/C11H16N2O3/c1-3-5-9(14)7-13-6-8(4-2)10(15)12-11(13)16/h6H,3-5,7H2,1-2H3,(H,12,15,16)
InChIKeyCUMNZNLXKOWTNC-UHFFFAOYSA-N
XLogP0.47
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-(2-oxopentyl)pyrimidine-2,4-dione?
The IUPAC name of 5-ethyl-1-(2-oxopentyl)pyrimidine-2,4-dione (CID 66329519) is 5-ethyl-1-(2-oxopentyl)pyrimidine-2,4-dione.
What is the SMILES notation for 5-ethyl-1-(2-oxopentyl)pyrimidine-2,4-dione?
The canonical SMILES for 5-ethyl-1-(2-oxopentyl)pyrimidine-2,4-dione is CCCC(=O)Cn1cc(CC)c(=O)[nH]c1=O.
What is the InChIKey of 5-ethyl-1-(2-oxopentyl)pyrimidine-2,4-dione?
The InChIKey is CUMNZNLXKOWTNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-3-5-9(14)7-13-6-8(4-2)10(15)12-11(13)16/h6H,3-5,7H2,1-2H3,(H,12,15,16).
What are the key properties of 5-ethyl-1-(2-oxopentyl)pyrimidine-2,4-dione?
5-ethyl-1-(2-oxopentyl)pyrimidine-2,4-dione has a molecular weight of 224.26 g/mol, XLogP of 0.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-(2-oxopentyl)pyrimidine-2,4-dione is sourced from PubChem (CID 66329519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).