1-cyclopropyl-3-[(2-methylpyrimidin-4-yl)methylamino]pyrrolidine-2,5-dione

C13H16N4O2 — CID 54901837

IUPAC1-cyclopropyl-3-[(2-methylpyrimidin-4-yl)methylamino]pyrrolidine-2,5-dione
SMILESCc1nccc(CNC2CC(=O)N(C3CC3)C2=O)n1
InChIInChI=1S/C13H16N4O2/c1-8-14-5-4-9(16-8)7-15-11-6-12(18)17(13(11)19)10-2-3-10/h4-5,10-11,15H,2-3,6-7H2,1H3
InChIKeyUTQMNAJWOQJMAE-UHFFFAOYSA-N
MW260.30 g/mol
LogP0.16
Rot. Bonds4

About 1-cyclopropyl-3-[(2-methylpyrimidin-4-yl)methylamino]pyrrolidine-2,5-dione

1-cyclopropyl-3-[(2-methylpyrimidin-4-yl)methylamino]pyrrolidine-2,5-dione (PubChem CID 54901837) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 1-cyclopropyl-3-[(2-methylpyrimidin-4-yl)methylamino]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-cyclopropyl-3-[(2-methylpyrimidin-4-yl)methylamino]pyrrolidine-2,5-dione
PubChem CID54901837
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name1-cyclopropyl-3-[(2-methylpyrimidin-4-yl)methylamino]pyrrolidine-2,5-dione
SMILESCc1nccc(CNC2CC(=O)N(C3CC3)C2=O)n1
InChIInChI=1S/C13H16N4O2/c1-8-14-5-4-9(16-8)7-15-11-6-12(18)17(13(11)19)10-2-3-10/h4-5,10-11,15H,2-3,6-7H2,1H3
InChIKeyUTQMNAJWOQJMAE-UHFFFAOYSA-N
XLogP0.16
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-cyclopropyl-3-[(2-methylpyrimidin-4-yl)methylamino]pyrrolidine-2,5-dione?
The IUPAC name of 1-cyclopropyl-3-[(2-methylpyrimidin-4-yl)methylamino]pyrrolidine-2,5-dione (CID 54901837) is 1-cyclopropyl-3-[(2-methylpyrimidin-4-yl)methylamino]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-cyclopropyl-3-[(2-methylpyrimidin-4-yl)methylamino]pyrrolidine-2,5-dione?
The canonical SMILES for 1-cyclopropyl-3-[(2-methylpyrimidin-4-yl)methylamino]pyrrolidine-2,5-dione is Cc1nccc(CNC2CC(=O)N(C3CC3)C2=O)n1.
What is the InChIKey of 1-cyclopropyl-3-[(2-methylpyrimidin-4-yl)methylamino]pyrrolidine-2,5-dione?
The InChIKey is UTQMNAJWOQJMAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-8-14-5-4-9(16-8)7-15-11-6-12(18)17(13(11)19)10-2-3-10/h4-5,10-11,15H,2-3,6-7H2,1H3.
What are the key properties of 1-cyclopropyl-3-[(2-methylpyrimidin-4-yl)methylamino]pyrrolidine-2,5-dione?
1-cyclopropyl-3-[(2-methylpyrimidin-4-yl)methylamino]pyrrolidine-2,5-dione has a molecular weight of 260.30 g/mol, XLogP of 0.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[(2-methylpyrimidin-4-yl)methylamino]pyrrolidine-2,5-dione is sourced from PubChem (CID 54901837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).