1-[1-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]pyrrolidine-2,5-dione

C15H21N5O2 — CID 70202660

IUPAC1-[1-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]pyrrolidine-2,5-dione
SMILESCCC(N1CCN(c2ncccn2)CC1)N1C(=O)CCC1=O
InChIInChI=1S/C15H21N5O2/c1-2-12(20-13(21)4-5-14(20)22)18-8-10-19(11-9-18)15-16-6-3-7-17-15/h3,6-7,12H,2,4-5,8-11H2,1H3
InChIKeyHVSCLVUBDVABOT-UHFFFAOYSA-N
MW303.37 g/mol
LogP0.48
Rot. Bonds4

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

1-[1-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]pyrrolidine-2,5-dione (PubChem CID 70202660) has the molecular formula C15H21N5O2 and a molecular weight of 303.37 g/mol. Its IUPAC name is 1-[1-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[1-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]pyrrolidine-2,5-dione
PubChem CID70202660
Molecular FormulaC15H21N5O2
Molecular Weight303.37 g/mol
Exact Mass303.17
IUPAC Name1-[1-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]pyrrolidine-2,5-dione
SMILESCCC(N1CCN(c2ncccn2)CC1)N1C(=O)CCC1=O
InChIInChI=1S/C15H21N5O2/c1-2-12(20-13(21)4-5-14(20)22)18-8-10-19(11-9-18)15-16-6-3-7-17-15/h3,6-7,12H,2,4-5,8-11H2,1H3
InChIKeyHVSCLVUBDVABOT-UHFFFAOYSA-N
XLogP0.48
TPSA69.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 50.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-[1-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]pyrrolidine-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

3-(4-pyrimidin-2-ylpiperazin-1-yl)pentan-1-amine
CID 43367610
2-[4-(1-pyrazol-1-ylbutyl)piperazin-1-yl]pyrimidine
CID 173345063
3-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)pentan-1-amine
CID 43312455
1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanol
CID 21279253
methyl 3-(4-pyrimidin-2-ylpiperazin-1-yl)butanoate
CID 43537360
N-(2-methylpropyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-amine
CID 62425688
ethyl 2-(4-pyrimidin-2-ylpiperazin-1-yl)pentanoate
CID 78964151
N'-hydroxy-3-(4-pyrimidin-2-ylpiperazin-1-yl)pentanimidamide
CID 43175017
(2S)-2-ethyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)butane-1,3-dione
CID 102428225
2-(4-butan-2-ylpiperidin-1-yl)pyrimidine
CID 145314724
2-methyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]propan-2-amine
CID 55070558
N-propyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-amine
CID 62425155

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[1-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]pyrrolidine-2,5-dione (CID 70202660) is 1-[1-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[1-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[1-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]pyrrolidine-2,5-dione is CCC(N1CCN(c2ncccn2)CC1)N1C(=O)CCC1=O.
What is the InChIKey of 1-[1-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]pyrrolidine-2,5-dione?
The InChIKey is HVSCLVUBDVABOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O2/c1-2-12(20-13(21)4-5-14(20)22)18-8-10-19(11-9-18)15-16-6-3-7-17-15/h3,6-7,12H,2,4-5,8-11H2,1H3.
What are the key properties of 1-[1-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]pyrrolidine-2,5-dione?
1-[1-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]pyrrolidine-2,5-dione has a molecular weight of 303.37 g/mol, XLogP of 0.48, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 70202660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).