3-[(3-fluoropyrazin-2-yl)amino]-1-propan-2-ylpyrrolidine-2,5-dione

C11H13FN4O2 — CID 166246017

IUPAC3-[(3-fluoropyrazin-2-yl)amino]-1-propan-2-ylpyrrolidine-2,5-dione
SMILESCC(C)N1C(=O)CC(Nc2nccnc2F)C1=O
InChIInChI=1S/C11H13FN4O2/c1-6(2)16-8(17)5-7(11(16)18)15-10-9(12)13-3-4-14-10/h3-4,6-7H,5H2,1-2H3,(H,14,15)
InChIKeyVUKBPNYRZBKULL-UHFFFAOYSA-N
MW252.25 g/mol
LogP0.56
Rot. Bonds3

About 3-[(3-fluoropyrazin-2-yl)amino]-1-propan-2-ylpyrrolidine-2,5-dione

3-[(3-fluoropyrazin-2-yl)amino]-1-propan-2-ylpyrrolidine-2,5-dione (PubChem CID 166246017) has the molecular formula C11H13FN4O2 and a molecular weight of 252.25 g/mol. Its IUPAC name is 3-[(3-fluoropyrazin-2-yl)amino]-1-propan-2-ylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[(3-fluoropyrazin-2-yl)amino]-1-propan-2-ylpyrrolidine-2,5-dione
PubChem CID166246017
Molecular FormulaC11H13FN4O2
Molecular Weight252.25 g/mol
Exact Mass252.10
IUPAC Name3-[(3-fluoropyrazin-2-yl)amino]-1-propan-2-ylpyrrolidine-2,5-dione
SMILESCC(C)N1C(=O)CC(Nc2nccnc2F)C1=O
InChIInChI=1S/C11H13FN4O2/c1-6(2)16-8(17)5-7(11(16)18)15-10-9(12)13-3-4-14-10/h3-4,6-7H,5H2,1-2H3,(H,14,15)
InChIKeyVUKBPNYRZBKULL-UHFFFAOYSA-N
XLogP0.56
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.25
LogP ≤ 50.56
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 3-[(3-fluoropyrazin-2-yl)amino]-1-propan-2-ylpyrrolidine-2,5-dione?
The IUPAC name of 3-[(3-fluoropyrazin-2-yl)amino]-1-propan-2-ylpyrrolidine-2,5-dione (CID 166246017) is 3-[(3-fluoropyrazin-2-yl)amino]-1-propan-2-ylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-[(3-fluoropyrazin-2-yl)amino]-1-propan-2-ylpyrrolidine-2,5-dione?
The canonical SMILES for 3-[(3-fluoropyrazin-2-yl)amino]-1-propan-2-ylpyrrolidine-2,5-dione is CC(C)N1C(=O)CC(Nc2nccnc2F)C1=O.
What is the InChIKey of 3-[(3-fluoropyrazin-2-yl)amino]-1-propan-2-ylpyrrolidine-2,5-dione?
The InChIKey is VUKBPNYRZBKULL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN4O2/c1-6(2)16-8(17)5-7(11(16)18)15-10-9(12)13-3-4-14-10/h3-4,6-7H,5H2,1-2H3,(H,14,15).
What are the key properties of 3-[(3-fluoropyrazin-2-yl)amino]-1-propan-2-ylpyrrolidine-2,5-dione?
3-[(3-fluoropyrazin-2-yl)amino]-1-propan-2-ylpyrrolidine-2,5-dione has a molecular weight of 252.25 g/mol, XLogP of 0.56, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-fluoropyrazin-2-yl)amino]-1-propan-2-ylpyrrolidine-2,5-dione is sourced from PubChem (CID 166246017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).