3-(2-fluorophenyl)-1-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]pyrrolidine-2,5-dione

C19H20FN5O2 — CID 70697297

IUPAC3-(2-fluorophenyl)-1-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]pyrrolidine-2,5-dione
SMILESO=C1CC(c2ccccc2F)C(=O)N1CN1CCN(c2ncccn2)CC1
InChIInChI=1S/C19H20FN5O2/c20-16-5-2-1-4-14(16)15-12-17(26)25(18(15)27)13-23-8-10-24(11-9-23)19-21-6-3-7-22-19/h1-7,15H,8-13H2
InChIKeyKJEFPVPDIWALCL-UHFFFAOYSA-N
MW369.40 g/mol
LogP1.24
Rot. Bonds4

About 3-(2-fluorophenyl)-1-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]pyrrolidine-2,5-dione

3-(2-fluorophenyl)-1-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]pyrrolidine-2,5-dione (PubChem CID 70697297) has the molecular formula C19H20FN5O2 and a molecular weight of 369.40 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-1-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(2-fluorophenyl)-1-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]pyrrolidine-2,5-dione
PubChem CID70697297
Molecular FormulaC19H20FN5O2
Molecular Weight369.40 g/mol
Exact Mass369.16
IUPAC Name3-(2-fluorophenyl)-1-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]pyrrolidine-2,5-dione
SMILESO=C1CC(c2ccccc2F)C(=O)N1CN1CCN(c2ncccn2)CC1
InChIInChI=1S/C19H20FN5O2/c20-16-5-2-1-4-14(16)15-12-17(26)25(18(15)27)13-23-8-10-24(11-9-23)19-21-6-3-7-22-19/h1-7,15H,8-13H2
InChIKeyKJEFPVPDIWALCL-UHFFFAOYSA-N
XLogP1.24
TPSA69.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-1-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]pyrrolidine-2,5-dione?
The IUPAC name of 3-(2-fluorophenyl)-1-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]pyrrolidine-2,5-dione (CID 70697297) is 3-(2-fluorophenyl)-1-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 3-(2-fluorophenyl)-1-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]pyrrolidine-2,5-dione?
The canonical SMILES for 3-(2-fluorophenyl)-1-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]pyrrolidine-2,5-dione is O=C1CC(c2ccccc2F)C(=O)N1CN1CCN(c2ncccn2)CC1.
What is the InChIKey of 3-(2-fluorophenyl)-1-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]pyrrolidine-2,5-dione?
The InChIKey is KJEFPVPDIWALCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN5O2/c20-16-5-2-1-4-14(16)15-12-17(26)25(18(15)27)13-23-8-10-24(11-9-23)19-21-6-3-7-22-19/h1-7,15H,8-13H2.
What are the key properties of 3-(2-fluorophenyl)-1-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]pyrrolidine-2,5-dione?
3-(2-fluorophenyl)-1-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]pyrrolidine-2,5-dione has a molecular weight of 369.40 g/mol, XLogP of 1.24, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-1-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 70697297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).