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

C11H16FN3O2 — CID 105061164

IUPAC5-fluoro-1-(2-piperidin-4-ylethyl)pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(CCC2CCNCC2)cc1F
InChIInChI=1S/C11H16FN3O2/c12-9-7-15(11(17)14-10(9)16)6-3-8-1-4-13-5-2-8/h7-8,13H,1-6H2,(H,14,16,17)
InChIKeyNZUDITABLNSPBW-UHFFFAOYSA-N
MW241.27 g/mol
LogP0.07
Rot. Bonds3

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

5-fluoro-1-(2-piperidin-4-ylethyl)pyrimidine-2,4-dione (PubChem CID 105061164) has the molecular formula C11H16FN3O2 and a molecular weight of 241.27 g/mol. Its IUPAC name is 5-fluoro-1-(2-piperidin-4-ylethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-fluoro-1-(2-piperidin-4-ylethyl)pyrimidine-2,4-dione
PubChem CID105061164
Molecular FormulaC11H16FN3O2
Molecular Weight241.27 g/mol
Exact Mass241.12
IUPAC Name5-fluoro-1-(2-piperidin-4-ylethyl)pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(CCC2CCNCC2)cc1F
InChIInChI=1S/C11H16FN3O2/c12-9-7-15(11(17)14-10(9)16)6-3-8-1-4-13-5-2-8/h7-8,13H,1-6H2,(H,14,16,17)
InChIKeyNZUDITABLNSPBW-UHFFFAOYSA-N
XLogP0.07
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.27
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-fluoro-1-(2-piperidin-4-ylethyl)pyrimidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-(2-piperidin-4-ylethyl)pyrimidine-2,4-dione?
The IUPAC name of 5-fluoro-1-(2-piperidin-4-ylethyl)pyrimidine-2,4-dione (CID 105061164) is 5-fluoro-1-(2-piperidin-4-ylethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 5-fluoro-1-(2-piperidin-4-ylethyl)pyrimidine-2,4-dione?
The canonical SMILES for 5-fluoro-1-(2-piperidin-4-ylethyl)pyrimidine-2,4-dione is O=c1[nH]c(=O)n(CCC2CCNCC2)cc1F.
What is the InChIKey of 5-fluoro-1-(2-piperidin-4-ylethyl)pyrimidine-2,4-dione?
The InChIKey is NZUDITABLNSPBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN3O2/c12-9-7-15(11(17)14-10(9)16)6-3-8-1-4-13-5-2-8/h7-8,13H,1-6H2,(H,14,16,17).
What are the key properties of 5-fluoro-1-(2-piperidin-4-ylethyl)pyrimidine-2,4-dione?
5-fluoro-1-(2-piperidin-4-ylethyl)pyrimidine-2,4-dione has a molecular weight of 241.27 g/mol, XLogP of 0.07, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-(2-piperidin-4-ylethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 105061164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).