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

C13H17N5O2 — CID 2840576

IUPAC1-methyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyrrolidine-2,5-dione
SMILESCN1C(=O)CC(N2CCN(c3ncccn3)CC2)C1=O
InChIInChI=1S/C13H17N5O2/c1-16-11(19)9-10(12(16)20)17-5-7-18(8-6-17)13-14-3-2-4-15-13/h2-4,10H,5-9H2,1H3
InChIKeyGAAKUTTXMFSINO-UHFFFAOYSA-N
MW275.31 g/mol
LogP-0.64
Rot. Bonds2

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

1-methyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyrrolidine-2,5-dione (PubChem CID 2840576) has the molecular formula C13H17N5O2 and a molecular weight of 275.31 g/mol. Its IUPAC name is 1-methyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-methyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyrrolidine-2,5-dione
PubChem CID2840576
Molecular FormulaC13H17N5O2
Molecular Weight275.31 g/mol
Exact Mass275.14
IUPAC Name1-methyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyrrolidine-2,5-dione
SMILESCN1C(=O)CC(N2CCN(c3ncccn3)CC2)C1=O
InChIInChI=1S/C13H17N5O2/c1-16-11(19)9-10(12(16)20)17-5-7-18(8-6-17)13-14-3-2-4-15-13/h2-4,10H,5-9H2,1H3
InChIKeyGAAKUTTXMFSINO-UHFFFAOYSA-N
XLogP-0.64
TPSA69.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 5-0.64
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 1-methyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyrrolidine-2,5-dione?
The IUPAC name of 1-methyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyrrolidine-2,5-dione (CID 2840576) is 1-methyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-methyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyrrolidine-2,5-dione?
The canonical SMILES for 1-methyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyrrolidine-2,5-dione is CN1C(=O)CC(N2CCN(c3ncccn3)CC2)C1=O.
What is the InChIKey of 1-methyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyrrolidine-2,5-dione?
The InChIKey is GAAKUTTXMFSINO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2/c1-16-11(19)9-10(12(16)20)17-5-7-18(8-6-17)13-14-3-2-4-15-13/h2-4,10H,5-9H2,1H3.
What are the key properties of 1-methyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyrrolidine-2,5-dione?
1-methyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyrrolidine-2,5-dione has a molecular weight of 275.31 g/mol, XLogP of -0.64, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyrrolidine-2,5-dione is sourced from PubChem (CID 2840576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).