1-(1-ethylpiperidin-3-yl)-5-fluoro-6-hydroxypyrimidine-2,4-dione

C11H16FN3O3 — CID 112599825

IUPAC1-(1-ethylpiperidin-3-yl)-5-fluoro-6-hydroxypyrimidine-2,4-dione
SMILESCCN1CCCC(n2c(O)c(F)c(=O)[nH]c2=O)C1
InChIInChI=1S/C11H16FN3O3/c1-2-14-5-3-4-7(6-14)15-10(17)8(12)9(16)13-11(15)18/h7,17H,2-6H2,1H3,(H,13,16,18)
InChIKeyFJFZHDCVLDUHOU-UHFFFAOYSA-N
MW257.26 g/mol
LogP0.04
Rot. Bonds2

About 1-(1-ethylpiperidin-3-yl)-5-fluoro-6-hydroxypyrimidine-2,4-dione

1-(1-ethylpiperidin-3-yl)-5-fluoro-6-hydroxypyrimidine-2,4-dione (PubChem CID 112599825) has the molecular formula C11H16FN3O3 and a molecular weight of 257.26 g/mol. Its IUPAC name is 1-(1-ethylpiperidin-3-yl)-5-fluoro-6-hydroxypyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(1-ethylpiperidin-3-yl)-5-fluoro-6-hydroxypyrimidine-2,4-dione
PubChem CID112599825
Molecular FormulaC11H16FN3O3
Molecular Weight257.26 g/mol
Exact Mass257.12
IUPAC Name1-(1-ethylpiperidin-3-yl)-5-fluoro-6-hydroxypyrimidine-2,4-dione
SMILESCCN1CCCC(n2c(O)c(F)c(=O)[nH]c2=O)C1
InChIInChI=1S/C11H16FN3O3/c1-2-14-5-3-4-7(6-14)15-10(17)8(12)9(16)13-11(15)18/h7,17H,2-6H2,1H3,(H,13,16,18)
InChIKeyFJFZHDCVLDUHOU-UHFFFAOYSA-N
XLogP0.04
TPSA78.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.26
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylpiperidin-3-yl)-5-fluoro-6-hydroxypyrimidine-2,4-dione?
The IUPAC name of 1-(1-ethylpiperidin-3-yl)-5-fluoro-6-hydroxypyrimidine-2,4-dione (CID 112599825) is 1-(1-ethylpiperidin-3-yl)-5-fluoro-6-hydroxypyrimidine-2,4-dione.
What is the SMILES notation for 1-(1-ethylpiperidin-3-yl)-5-fluoro-6-hydroxypyrimidine-2,4-dione?
The canonical SMILES for 1-(1-ethylpiperidin-3-yl)-5-fluoro-6-hydroxypyrimidine-2,4-dione is CCN1CCCC(n2c(O)c(F)c(=O)[nH]c2=O)C1.
What is the InChIKey of 1-(1-ethylpiperidin-3-yl)-5-fluoro-6-hydroxypyrimidine-2,4-dione?
The InChIKey is FJFZHDCVLDUHOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN3O3/c1-2-14-5-3-4-7(6-14)15-10(17)8(12)9(16)13-11(15)18/h7,17H,2-6H2,1H3,(H,13,16,18).
What are the key properties of 1-(1-ethylpiperidin-3-yl)-5-fluoro-6-hydroxypyrimidine-2,4-dione?
1-(1-ethylpiperidin-3-yl)-5-fluoro-6-hydroxypyrimidine-2,4-dione has a molecular weight of 257.26 g/mol, XLogP of 0.04, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylpiperidin-3-yl)-5-fluoro-6-hydroxypyrimidine-2,4-dione is sourced from PubChem (CID 112599825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).