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

C10H15FN4O2 — CID 63557388

IUPAC5-fluoro-1-(2-piperazin-1-ylethyl)pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(CCN2CCNCC2)cc1F
InChIInChI=1S/C10H15FN4O2/c11-8-7-15(10(17)13-9(8)16)6-5-14-3-1-12-2-4-14/h7,12H,1-6H2,(H,13,16,17)
InChIKeyLQYYKZOFQYVWRL-UHFFFAOYSA-N
MW242.25 g/mol
LogP-1.42
Rot. Bonds3

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

5-fluoro-1-(2-piperazin-1-ylethyl)pyrimidine-2,4-dione (PubChem CID 63557388) has the molecular formula C10H15FN4O2 and a molecular weight of 242.25 g/mol. Its IUPAC name is 5-fluoro-1-(2-piperazin-1-ylethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-fluoro-1-(2-piperazin-1-ylethyl)pyrimidine-2,4-dione
PubChem CID63557388
Molecular FormulaC10H15FN4O2
Molecular Weight242.25 g/mol
Exact Mass242.12
IUPAC Name5-fluoro-1-(2-piperazin-1-ylethyl)pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(CCN2CCNCC2)cc1F
InChIInChI=1S/C10H15FN4O2/c11-8-7-15(10(17)13-9(8)16)6-5-14-3-1-12-2-4-14/h7,12H,1-6H2,(H,13,16,17)
InChIKeyLQYYKZOFQYVWRL-UHFFFAOYSA-N
XLogP-1.42
TPSA70.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.25
LogP ≤ 5-1.42
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-piperazin-1-ylethyl)pyrimidine-2,4-dione?
The IUPAC name of 5-fluoro-1-(2-piperazin-1-ylethyl)pyrimidine-2,4-dione (CID 63557388) is 5-fluoro-1-(2-piperazin-1-ylethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 5-fluoro-1-(2-piperazin-1-ylethyl)pyrimidine-2,4-dione?
The canonical SMILES for 5-fluoro-1-(2-piperazin-1-ylethyl)pyrimidine-2,4-dione is O=c1[nH]c(=O)n(CCN2CCNCC2)cc1F.
What is the InChIKey of 5-fluoro-1-(2-piperazin-1-ylethyl)pyrimidine-2,4-dione?
The InChIKey is LQYYKZOFQYVWRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN4O2/c11-8-7-15(10(17)13-9(8)16)6-5-14-3-1-12-2-4-14/h7,12H,1-6H2,(H,13,16,17).
What are the key properties of 5-fluoro-1-(2-piperazin-1-ylethyl)pyrimidine-2,4-dione?
5-fluoro-1-(2-piperazin-1-ylethyl)pyrimidine-2,4-dione has a molecular weight of 242.25 g/mol, XLogP of -1.42, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-(2-piperazin-1-ylethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 63557388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).