3-[[6-(ethylamino)imidazo[1,2-a]pyrazin-8-yl]amino]-1-methylpyrrolidine-2,5-dione

C13H16N6O2 — CID 80831659

IUPAC3-[[6-(ethylamino)imidazo[1,2-a]pyrazin-8-yl]amino]-1-methylpyrrolidine-2,5-dione
SMILESCCNc1cn2ccnc2c(NC2CC(=O)N(C)C2=O)n1
InChIInChI=1S/C13H16N6O2/c1-3-14-9-7-19-5-4-15-12(19)11(17-9)16-8-6-10(20)18(2)13(8)21/h4-5,7-8,14H,3,6H2,1-2H3,(H,16,17)
InChIKeyBXMXEBDATKLVSP-UHFFFAOYSA-N
MW288.31 g/mol
LogP0.33
Rot. Bonds4

About 3-[[6-(ethylamino)imidazo[1,2-a]pyrazin-8-yl]amino]-1-methylpyrrolidine-2,5-dione

3-[[6-(ethylamino)imidazo[1,2-a]pyrazin-8-yl]amino]-1-methylpyrrolidine-2,5-dione (PubChem CID 80831659) 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]-1-methylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[[6-(ethylamino)imidazo[1,2-a]pyrazin-8-yl]amino]-1-methylpyrrolidine-2,5-dione
PubChem CID80831659
Molecular FormulaC13H16N6O2
Molecular Weight288.31 g/mol
Exact Mass288.13
IUPAC Name3-[[6-(ethylamino)imidazo[1,2-a]pyrazin-8-yl]amino]-1-methylpyrrolidine-2,5-dione
SMILESCCNc1cn2ccnc2c(NC2CC(=O)N(C)C2=O)n1
InChIInChI=1S/C13H16N6O2/c1-3-14-9-7-19-5-4-15-12(19)11(17-9)16-8-6-10(20)18(2)13(8)21/h4-5,7-8,14H,3,6H2,1-2H3,(H,16,17)
InChIKeyBXMXEBDATKLVSP-UHFFFAOYSA-N
XLogP0.33
TPSA91.63 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3-[(6-aminoimidazo[1,2-a]pyrazin-8-yl)amino]-1-methylpyrrolidine-2,5-dione
CID 80856508
3-[[6-(ethylamino)imidazo[1,2-a]pyrazin-8-yl]amino]piperidine-2,6-dione
CID 80833133
6-N-ethyl-8-N-(oxan-4-yl)imidazo[1,2-a]pyrazine-6,8-diamine
CID 80789191
6-N-ethyl-8-N-(1-methylpiperidin-4-yl)imidazo[1,2-a]pyrazine-6,8-diamine
CID 80778631
1-methyl-3-[[6-(propylamino)imidazo[1,2-a]pyrazin-8-yl]amino]pyrrolidin-2-one
CID 106258542
8-N-(2,2-dimethylcyclohexyl)-6-N-ethylimidazo[1,2-a]pyrazine-6,8-diamine
CID 80837774
6-N-ethyl-8-N-(oxolan-3-yl)imidazo[1,2-a]pyrazine-6,8-diamine
CID 80854014
3-[[6-(ethylamino)-2-pyridinyl]amino]-1-methylpyrrolidine-2,5-dione
CID 80856588
3-[[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]amino]-1-methylpyrrolidine-2,5-dione
CID 80959483
6-N-ethyl-8-N-(3-ethyl-2-methylcyclopentyl)imidazo[1,2-a]pyrazine-6,8-diamine
CID 80827405
6-N-ethyl-8-N-(2-methylsulfonylethyl)imidazo[1,2-a]pyrazine-6,8-diamine
CID 80791433
8-N-(1-cyclopropylethyl)-6-N-ethylimidazo[1,2-a]pyrazine-6,8-diamine
CID 80782305

Frequently Asked Questions

What is the IUPAC name of 3-[[6-(ethylamino)imidazo[1,2-a]pyrazin-8-yl]amino]-1-methylpyrrolidine-2,5-dione?
The IUPAC name of 3-[[6-(ethylamino)imidazo[1,2-a]pyrazin-8-yl]amino]-1-methylpyrrolidine-2,5-dione (CID 80831659) is 3-[[6-(ethylamino)imidazo[1,2-a]pyrazin-8-yl]amino]-1-methylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-[[6-(ethylamino)imidazo[1,2-a]pyrazin-8-yl]amino]-1-methylpyrrolidine-2,5-dione?
The canonical SMILES for 3-[[6-(ethylamino)imidazo[1,2-a]pyrazin-8-yl]amino]-1-methylpyrrolidine-2,5-dione is CCNc1cn2ccnc2c(NC2CC(=O)N(C)C2=O)n1.
What is the InChIKey of 3-[[6-(ethylamino)imidazo[1,2-a]pyrazin-8-yl]amino]-1-methylpyrrolidine-2,5-dione?
The InChIKey is BXMXEBDATKLVSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6O2/c1-3-14-9-7-19-5-4-15-12(19)11(17-9)16-8-6-10(20)18(2)13(8)21/h4-5,7-8,14H,3,6H2,1-2H3,(H,16,17).
What are the key properties of 3-[[6-(ethylamino)imidazo[1,2-a]pyrazin-8-yl]amino]-1-methylpyrrolidine-2,5-dione?
3-[[6-(ethylamino)imidazo[1,2-a]pyrazin-8-yl]amino]-1-methylpyrrolidine-2,5-dione has a molecular weight of 288.31 g/mol, XLogP of 0.33, 4 rotatable bonds, 2 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]-1-methylpyrrolidine-2,5-dione is sourced from PubChem (CID 80831659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).