4-[5-[2-(4-fluorophenyl)ethyl]pyrimidin-2-yl]-1-propan-2-ylpyrrolidine-2,3-dione

C19H20FN3O2 — CID 91152055

IUPAC4-[5-[2-(4-fluorophenyl)ethyl]pyrimidin-2-yl]-1-propan-2-ylpyrrolidine-2,3-dione
SMILESCC(C)N1CC(c2ncc(CCc3ccc(F)cc3)cn2)C(=O)C1=O
InChIInChI=1S/C19H20FN3O2/c1-12(2)23-11-16(17(24)19(23)25)18-21-9-14(10-22-18)4-3-13-5-7-15(20)8-6-13/h5-10,12,16H,3-4,11H2,1-2H3
InChIKeyPMYCTFLCCYKEEK-UHFFFAOYSA-N
MW341.39 g/mol
LogP2.30
Rot. Bonds5

About 4-[5-[2-(4-fluorophenyl)ethyl]pyrimidin-2-yl]-1-propan-2-ylpyrrolidine-2,3-dione

4-[5-[2-(4-fluorophenyl)ethyl]pyrimidin-2-yl]-1-propan-2-ylpyrrolidine-2,3-dione (PubChem CID 91152055) has the molecular formula C19H20FN3O2 and a molecular weight of 341.39 g/mol. Its IUPAC name is 4-[5-[2-(4-fluorophenyl)ethyl]pyrimidin-2-yl]-1-propan-2-ylpyrrolidine-2,3-dione.

Molecular Properties

Compound Name4-[5-[2-(4-fluorophenyl)ethyl]pyrimidin-2-yl]-1-propan-2-ylpyrrolidine-2,3-dione
PubChem CID91152055
Molecular FormulaC19H20FN3O2
Molecular Weight341.39 g/mol
Exact Mass341.15
IUPAC Name4-[5-[2-(4-fluorophenyl)ethyl]pyrimidin-2-yl]-1-propan-2-ylpyrrolidine-2,3-dione
SMILESCC(C)N1CC(c2ncc(CCc3ccc(F)cc3)cn2)C(=O)C1=O
InChIInChI=1S/C19H20FN3O2/c1-12(2)23-11-16(17(24)19(23)25)18-21-9-14(10-22-18)4-3-13-5-7-15(20)8-6-13/h5-10,12,16H,3-4,11H2,1-2H3
InChIKeyPMYCTFLCCYKEEK-UHFFFAOYSA-N
XLogP2.30
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[2-(4-fluorophenyl)ethyl]pyrimidin-2-yl]-1-propan-2-ylpyrrolidine-2,3-dione?
The IUPAC name of 4-[5-[2-(4-fluorophenyl)ethyl]pyrimidin-2-yl]-1-propan-2-ylpyrrolidine-2,3-dione (CID 91152055) is 4-[5-[2-(4-fluorophenyl)ethyl]pyrimidin-2-yl]-1-propan-2-ylpyrrolidine-2,3-dione.
What is the SMILES notation for 4-[5-[2-(4-fluorophenyl)ethyl]pyrimidin-2-yl]-1-propan-2-ylpyrrolidine-2,3-dione?
The canonical SMILES for 4-[5-[2-(4-fluorophenyl)ethyl]pyrimidin-2-yl]-1-propan-2-ylpyrrolidine-2,3-dione is CC(C)N1CC(c2ncc(CCc3ccc(F)cc3)cn2)C(=O)C1=O.
What is the InChIKey of 4-[5-[2-(4-fluorophenyl)ethyl]pyrimidin-2-yl]-1-propan-2-ylpyrrolidine-2,3-dione?
The InChIKey is PMYCTFLCCYKEEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O2/c1-12(2)23-11-16(17(24)19(23)25)18-21-9-14(10-22-18)4-3-13-5-7-15(20)8-6-13/h5-10,12,16H,3-4,11H2,1-2H3.
What are the key properties of 4-[5-[2-(4-fluorophenyl)ethyl]pyrimidin-2-yl]-1-propan-2-ylpyrrolidine-2,3-dione?
4-[5-[2-(4-fluorophenyl)ethyl]pyrimidin-2-yl]-1-propan-2-ylpyrrolidine-2,3-dione has a molecular weight of 341.39 g/mol, XLogP of 2.30, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[2-(4-fluorophenyl)ethyl]pyrimidin-2-yl]-1-propan-2-ylpyrrolidine-2,3-dione is sourced from PubChem (CID 91152055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).