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

C10H13FN4O3 — CID 55219095

IUPAC5-fluoro-1-(2-oxo-2-piperazin-1-ylethyl)pyrimidine-2,4-dione
SMILESO=C(Cn1cc(F)c(=O)[nH]c1=O)N1CCNCC1
InChIInChI=1S/C10H13FN4O3/c11-7-5-15(10(18)13-9(7)17)6-8(16)14-3-1-12-2-4-14/h5,12H,1-4,6H2,(H,13,17,18)
InChIKeyKXYPKRPFWHVUMU-UHFFFAOYSA-N
MW256.24 g/mol
LogP-1.89
Rot. Bonds2

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

5-fluoro-1-(2-oxo-2-piperazin-1-ylethyl)pyrimidine-2,4-dione (PubChem CID 55219095) has the molecular formula C10H13FN4O3 and a molecular weight of 256.24 g/mol. Its IUPAC name is 5-fluoro-1-(2-oxo-2-piperazin-1-ylethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-fluoro-1-(2-oxo-2-piperazin-1-ylethyl)pyrimidine-2,4-dione
PubChem CID55219095
Molecular FormulaC10H13FN4O3
Molecular Weight256.24 g/mol
Exact Mass256.10
IUPAC Name5-fluoro-1-(2-oxo-2-piperazin-1-ylethyl)pyrimidine-2,4-dione
SMILESO=C(Cn1cc(F)c(=O)[nH]c1=O)N1CCNCC1
InChIInChI=1S/C10H13FN4O3/c11-7-5-15(10(18)13-9(7)17)6-8(16)14-3-1-12-2-4-14/h5,12H,1-4,6H2,(H,13,17,18)
InChIKeyKXYPKRPFWHVUMU-UHFFFAOYSA-N
XLogP-1.89
TPSA87.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.24
LogP ≤ 5-1.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-(2-oxo-2-piperazin-1-ylethyl)pyrimidine-2,4-dione?
The IUPAC name of 5-fluoro-1-(2-oxo-2-piperazin-1-ylethyl)pyrimidine-2,4-dione (CID 55219095) is 5-fluoro-1-(2-oxo-2-piperazin-1-ylethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 5-fluoro-1-(2-oxo-2-piperazin-1-ylethyl)pyrimidine-2,4-dione?
The canonical SMILES for 5-fluoro-1-(2-oxo-2-piperazin-1-ylethyl)pyrimidine-2,4-dione is O=C(Cn1cc(F)c(=O)[nH]c1=O)N1CCNCC1.
What is the InChIKey of 5-fluoro-1-(2-oxo-2-piperazin-1-ylethyl)pyrimidine-2,4-dione?
The InChIKey is KXYPKRPFWHVUMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN4O3/c11-7-5-15(10(18)13-9(7)17)6-8(16)14-3-1-12-2-4-14/h5,12H,1-4,6H2,(H,13,17,18).
What are the key properties of 5-fluoro-1-(2-oxo-2-piperazin-1-ylethyl)pyrimidine-2,4-dione?
5-fluoro-1-(2-oxo-2-piperazin-1-ylethyl)pyrimidine-2,4-dione has a molecular weight of 256.24 g/mol, XLogP of -1.89, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-(2-oxo-2-piperazin-1-ylethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 55219095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).