3-phenyl-1-propan-2-yl-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrrole-2,5-dione

C21H23N5O2 — CID 110560331

IUPAC3-phenyl-1-propan-2-yl-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrrole-2,5-dione
SMILESCC(C)N1C(=O)C(c2ccccc2)=C(N2CCN(c3ncccn3)CC2)C1=O
InChIInChI=1S/C21H23N5O2/c1-15(2)26-19(27)17(16-7-4-3-5-8-16)18(20(26)28)24-11-13-25(14-12-24)21-22-9-6-10-23-21/h3-10,15H,11-14H2,1-2H3
InChIKeyGLYDZQUWOQOTFY-UHFFFAOYSA-N
MW377.45 g/mol
LogP1.79
Rot. Bonds4

About 3-phenyl-1-propan-2-yl-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrrole-2,5-dione

3-phenyl-1-propan-2-yl-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrrole-2,5-dione (PubChem CID 110560331) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is 3-phenyl-1-propan-2-yl-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-phenyl-1-propan-2-yl-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrrole-2,5-dione
PubChem CID110560331
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC Name3-phenyl-1-propan-2-yl-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrrole-2,5-dione
SMILESCC(C)N1C(=O)C(c2ccccc2)=C(N2CCN(c3ncccn3)CC2)C1=O
InChIInChI=1S/C21H23N5O2/c1-15(2)26-19(27)17(16-7-4-3-5-8-16)18(20(26)28)24-11-13-25(14-12-24)21-22-9-6-10-23-21/h3-10,15H,11-14H2,1-2H3
InChIKeyGLYDZQUWOQOTFY-UHFFFAOYSA-N
XLogP1.79
TPSA69.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-phenyl-1-propan-2-yl-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrrole-2,5-dione with MolForge

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

Launch Full Analysis

Related Compounds

1-hexyl-3-phenyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrrole-2,5-dione
CID 110559978
1-(3,4-dimethylphenyl)-3-phenyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrrole-2,5-dione
CID 110560778
3-(4-methylphenyl)-1-(2-methylpropyl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrrole-2,5-dione
CID 110572908
3-(4-phenylpiperazin-1-yl)-1-propan-2-yl-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione
CID 110575696
3-(4-benzylpiperazin-1-yl)-4-(4-chlorophenyl)-1-propan-2-ylpyrrole-2,5-dione
CID 110570303
3-(4-chlorophenyl)-4-piperidin-1-yl-1-propan-2-ylpyrrole-2,5-dione
CID 110570292
3-(4-fluorophenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]-1-propan-2-ylpyrrole-2,5-dione
CID 110544530
1-(2-fluorophenyl)-3-(4-fluorophenyl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrrole-2,5-dione
CID 110544804
3-phenyl-1-(2-propan-2-yloxyethyl)-4-(4-pyridin-2-ylpiperazin-1-yl)pyrrole-2,5-dione
CID 110559568
3-(4-fluorophenyl)-4-[4-(3-methylphenyl)piperazin-1-yl]-1-propan-2-ylpyrrole-2,5-dione
CID 110544525
1-(3,4-dimethylphenyl)-3-(4-methylphenyl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrrole-2,5-dione
CID 110573632
3-(4-fluorophenyl)-1-(pyridin-2-ylmethyl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrrole-2,5-dione
CID 110543503

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-1-propan-2-yl-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrrole-2,5-dione?
The IUPAC name of 3-phenyl-1-propan-2-yl-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrrole-2,5-dione (CID 110560331) is 3-phenyl-1-propan-2-yl-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrrole-2,5-dione.
What is the SMILES notation for 3-phenyl-1-propan-2-yl-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrrole-2,5-dione?
The canonical SMILES for 3-phenyl-1-propan-2-yl-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrrole-2,5-dione is CC(C)N1C(=O)C(c2ccccc2)=C(N2CCN(c3ncccn3)CC2)C1=O.
What is the InChIKey of 3-phenyl-1-propan-2-yl-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrrole-2,5-dione?
The InChIKey is GLYDZQUWOQOTFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2/c1-15(2)26-19(27)17(16-7-4-3-5-8-16)18(20(26)28)24-11-13-25(14-12-24)21-22-9-6-10-23-21/h3-10,15H,11-14H2,1-2H3.
What are the key properties of 3-phenyl-1-propan-2-yl-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrrole-2,5-dione?
3-phenyl-1-propan-2-yl-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrrole-2,5-dione has a molecular weight of 377.45 g/mol, XLogP of 1.79, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-1-propan-2-yl-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrrole-2,5-dione is sourced from PubChem (CID 110560331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).