3-[[6-(ethylamino)imidazo[1,2-a]pyrazin-8-yl]amino]piperidine-2,6-dione

C13H16N6O2 — CID 80833133

IUPAC3-[[6-(ethylamino)imidazo[1,2-a]pyrazin-8-yl]amino]piperidine-2,6-dione
SMILESCCNc1cn2ccnc2c(NC2CCC(=O)NC2=O)n1
InChIInChI=1S/C13H16N6O2/c1-2-14-9-7-19-6-5-15-12(19)11(17-9)16-8-3-4-10(20)18-13(8)21/h5-8,14H,2-4H2,1H3,(H,16,17)(H,18,20,21)
InChIKeyWKOYFZGVQVBHJX-UHFFFAOYSA-N
MW288.31 g/mol
LogP0.38
Rot. Bonds4

About 3-[[6-(ethylamino)imidazo[1,2-a]pyrazin-8-yl]amino]piperidine-2,6-dione

3-[[6-(ethylamino)imidazo[1,2-a]pyrazin-8-yl]amino]piperidine-2,6-dione (PubChem CID 80833133) has the molecular formula C13H16N6O2 and a molecular weight of 288.31 g/mol. Its IUPAC name is 3-[[6-(ethylamino)imidazo[1,2-a]pyrazin-8-yl]amino]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[[6-(ethylamino)imidazo[1,2-a]pyrazin-8-yl]amino]piperidine-2,6-dione
PubChem CID80833133
Molecular FormulaC13H16N6O2
Molecular Weight288.31 g/mol
Exact Mass288.13
IUPAC Name3-[[6-(ethylamino)imidazo[1,2-a]pyrazin-8-yl]amino]piperidine-2,6-dione
SMILESCCNc1cn2ccnc2c(NC2CCC(=O)NC2=O)n1
InChIInChI=1S/C13H16N6O2/c1-2-14-9-7-19-6-5-15-12(19)11(17-9)16-8-3-4-10(20)18-13(8)21/h5-8,14H,2-4H2,1H3,(H,16,17)(H,18,20,21)
InChIKeyWKOYFZGVQVBHJX-UHFFFAOYSA-N
XLogP0.38
TPSA100.42 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 50.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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-[[6-(ethylamino)imidazo[1,2-a]pyrazin-8-yl]amino]piperidine-2,6-dione?
The IUPAC name of 3-[[6-(ethylamino)imidazo[1,2-a]pyrazin-8-yl]amino]piperidine-2,6-dione (CID 80833133) is 3-[[6-(ethylamino)imidazo[1,2-a]pyrazin-8-yl]amino]piperidine-2,6-dione.
What is the SMILES notation for 3-[[6-(ethylamino)imidazo[1,2-a]pyrazin-8-yl]amino]piperidine-2,6-dione?
The canonical SMILES for 3-[[6-(ethylamino)imidazo[1,2-a]pyrazin-8-yl]amino]piperidine-2,6-dione is CCNc1cn2ccnc2c(NC2CCC(=O)NC2=O)n1.
What is the InChIKey of 3-[[6-(ethylamino)imidazo[1,2-a]pyrazin-8-yl]amino]piperidine-2,6-dione?
The InChIKey is WKOYFZGVQVBHJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6O2/c1-2-14-9-7-19-6-5-15-12(19)11(17-9)16-8-3-4-10(20)18-13(8)21/h5-8,14H,2-4H2,1H3,(H,16,17)(H,18,20,21).
What are the key properties of 3-[[6-(ethylamino)imidazo[1,2-a]pyrazin-8-yl]amino]piperidine-2,6-dione?
3-[[6-(ethylamino)imidazo[1,2-a]pyrazin-8-yl]amino]piperidine-2,6-dione has a molecular weight of 288.31 g/mol, XLogP of 0.38, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-(ethylamino)imidazo[1,2-a]pyrazin-8-yl]amino]piperidine-2,6-dione is sourced from PubChem (CID 80833133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).