5-fluoro-2-(1-piperazin-1-ylethyl)-1H-pyrimidine-4,6-dione

C10H15FN4O2 — CID 80550817

IUPAC5-fluoro-2-(1-piperazin-1-ylethyl)-1H-pyrimidine-4,6-dione
SMILESCC(C1=NC(=O)C(F)C(=O)N1)N1CCNCC1
InChIInChI=1S/C10H15FN4O2/c1-6(15-4-2-12-3-5-15)8-13-9(16)7(11)10(17)14-8/h6-7,12H,2-5H2,1H3,(H,13,14,16,17)
InChIKeyQXJDKPLCXBQWNO-UHFFFAOYSA-N
MW242.25 g/mol
LogP-1.33
Rot. Bonds2

About 5-fluoro-2-(1-piperazin-1-ylethyl)-1H-pyrimidine-4,6-dione

5-fluoro-2-(1-piperazin-1-ylethyl)-1H-pyrimidine-4,6-dione (PubChem CID 80550817) has the molecular formula C10H15FN4O2 and a molecular weight of 242.25 g/mol. Its IUPAC name is 5-fluoro-2-(1-piperazin-1-ylethyl)-1H-pyrimidine-4,6-dione.

Molecular Properties

Compound Name5-fluoro-2-(1-piperazin-1-ylethyl)-1H-pyrimidine-4,6-dione
PubChem CID80550817
Molecular FormulaC10H15FN4O2
Molecular Weight242.25 g/mol
Exact Mass242.12
IUPAC Name5-fluoro-2-(1-piperazin-1-ylethyl)-1H-pyrimidine-4,6-dione
SMILESCC(C1=NC(=O)C(F)C(=O)N1)N1CCNCC1
InChIInChI=1S/C10H15FN4O2/c1-6(15-4-2-12-3-5-15)8-13-9(16)7(11)10(17)14-8/h6-7,12H,2-5H2,1H3,(H,13,14,16,17)
InChIKeyQXJDKPLCXBQWNO-UHFFFAOYSA-N
XLogP-1.33
TPSA73.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.25
LogP ≤ 5-1.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(1-piperazin-1-ylethyl)-1H-pyrimidine-4,6-dione?
The IUPAC name of 5-fluoro-2-(1-piperazin-1-ylethyl)-1H-pyrimidine-4,6-dione (CID 80550817) is 5-fluoro-2-(1-piperazin-1-ylethyl)-1H-pyrimidine-4,6-dione.
What is the SMILES notation for 5-fluoro-2-(1-piperazin-1-ylethyl)-1H-pyrimidine-4,6-dione?
The canonical SMILES for 5-fluoro-2-(1-piperazin-1-ylethyl)-1H-pyrimidine-4,6-dione is CC(C1=NC(=O)C(F)C(=O)N1)N1CCNCC1.
What is the InChIKey of 5-fluoro-2-(1-piperazin-1-ylethyl)-1H-pyrimidine-4,6-dione?
The InChIKey is QXJDKPLCXBQWNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN4O2/c1-6(15-4-2-12-3-5-15)8-13-9(16)7(11)10(17)14-8/h6-7,12H,2-5H2,1H3,(H,13,14,16,17).
What are the key properties of 5-fluoro-2-(1-piperazin-1-ylethyl)-1H-pyrimidine-4,6-dione?
5-fluoro-2-(1-piperazin-1-ylethyl)-1H-pyrimidine-4,6-dione has a molecular weight of 242.25 g/mol, XLogP of -1.33, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(1-piperazin-1-ylethyl)-1H-pyrimidine-4,6-dione is sourced from PubChem (CID 80550817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).