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

C11H15FN4O3 — CID 55219096

IUPAC5-fluoro-1-(3-oxo-3-piperazin-1-ylpropyl)pyrimidine-2,4-dione
SMILESO=C(CCn1cc(F)c(=O)[nH]c1=O)N1CCNCC1
InChIInChI=1S/C11H15FN4O3/c12-8-7-16(11(19)14-10(8)18)4-1-9(17)15-5-2-13-3-6-15/h7,13H,1-6H2,(H,14,18,19)
InChIKeyYTKUXXPHWNHPAY-UHFFFAOYSA-N
MW270.26 g/mol
LogP-1.50
Rot. Bonds3

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

5-fluoro-1-(3-oxo-3-piperazin-1-ylpropyl)pyrimidine-2,4-dione (PubChem CID 55219096) has the molecular formula C11H15FN4O3 and a molecular weight of 270.26 g/mol. Its IUPAC name is 5-fluoro-1-(3-oxo-3-piperazin-1-ylpropyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-fluoro-1-(3-oxo-3-piperazin-1-ylpropyl)pyrimidine-2,4-dione
PubChem CID55219096
Molecular FormulaC11H15FN4O3
Molecular Weight270.26 g/mol
Exact Mass270.11
IUPAC Name5-fluoro-1-(3-oxo-3-piperazin-1-ylpropyl)pyrimidine-2,4-dione
SMILESO=C(CCn1cc(F)c(=O)[nH]c1=O)N1CCNCC1
InChIInChI=1S/C11H15FN4O3/c12-8-7-16(11(19)14-10(8)18)4-1-9(17)15-5-2-13-3-6-15/h7,13H,1-6H2,(H,14,18,19)
InChIKeyYTKUXXPHWNHPAY-UHFFFAOYSA-N
XLogP-1.50
TPSA87.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.26
LogP ≤ 5-1.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-(3-oxo-3-piperazin-1-ylpropyl)pyrimidine-2,4-dione?
The IUPAC name of 5-fluoro-1-(3-oxo-3-piperazin-1-ylpropyl)pyrimidine-2,4-dione (CID 55219096) is 5-fluoro-1-(3-oxo-3-piperazin-1-ylpropyl)pyrimidine-2,4-dione.
What is the SMILES notation for 5-fluoro-1-(3-oxo-3-piperazin-1-ylpropyl)pyrimidine-2,4-dione?
The canonical SMILES for 5-fluoro-1-(3-oxo-3-piperazin-1-ylpropyl)pyrimidine-2,4-dione is O=C(CCn1cc(F)c(=O)[nH]c1=O)N1CCNCC1.
What is the InChIKey of 5-fluoro-1-(3-oxo-3-piperazin-1-ylpropyl)pyrimidine-2,4-dione?
The InChIKey is YTKUXXPHWNHPAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN4O3/c12-8-7-16(11(19)14-10(8)18)4-1-9(17)15-5-2-13-3-6-15/h7,13H,1-6H2,(H,14,18,19).
What are the key properties of 5-fluoro-1-(3-oxo-3-piperazin-1-ylpropyl)pyrimidine-2,4-dione?
5-fluoro-1-(3-oxo-3-piperazin-1-ylpropyl)pyrimidine-2,4-dione has a molecular weight of 270.26 g/mol, XLogP of -1.50, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-(3-oxo-3-piperazin-1-ylpropyl)pyrimidine-2,4-dione is sourced from PubChem (CID 55219096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).