3-[[6-(ethylamino)pyrazin-2-yl]amino]-1-methylpiperidine-2,6-dione

C12H17N5O2 — CID 80855845

IUPAC3-[[6-(ethylamino)pyrazin-2-yl]amino]-1-methylpiperidine-2,6-dione
SMILESCCNc1cncc(NC2CCC(=O)N(C)C2=O)n1
InChIInChI=1S/C12H17N5O2/c1-3-14-9-6-13-7-10(16-9)15-8-4-5-11(18)17(2)12(8)19/h6-8H,3-5H2,1-2H3,(H2,14,15,16)
InChIKeyHKBQMQJMMMVVON-UHFFFAOYSA-N
MW263.30 g/mol
LogP0.47
Rot. Bonds4

About 3-[[6-(ethylamino)pyrazin-2-yl]amino]-1-methylpiperidine-2,6-dione

3-[[6-(ethylamino)pyrazin-2-yl]amino]-1-methylpiperidine-2,6-dione (PubChem CID 80855845) has the molecular formula C12H17N5O2 and a molecular weight of 263.30 g/mol. Its IUPAC name is 3-[[6-(ethylamino)pyrazin-2-yl]amino]-1-methylpiperidine-2,6-dione.

Molecular Properties

Compound Name3-[[6-(ethylamino)pyrazin-2-yl]amino]-1-methylpiperidine-2,6-dione
PubChem CID80855845
Molecular FormulaC12H17N5O2
Molecular Weight263.30 g/mol
Exact Mass263.14
IUPAC Name3-[[6-(ethylamino)pyrazin-2-yl]amino]-1-methylpiperidine-2,6-dione
SMILESCCNc1cncc(NC2CCC(=O)N(C)C2=O)n1
InChIInChI=1S/C12H17N5O2/c1-3-14-9-6-13-7-10(16-9)15-8-4-5-11(18)17(2)12(8)19/h6-8H,3-5H2,1-2H3,(H2,14,15,16)
InChIKeyHKBQMQJMMMVVON-UHFFFAOYSA-N
XLogP0.47
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[[6-(ethylamino)-2-pyridinyl]amino]-1-methylpyrrolidine-2,5-dione
CID 80856588
3-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]-1-methylpiperidine-2,6-dione
CID 66326323
3-[(2-ethyl-6-hydrazinylpyrimidin-4-yl)amino]-1-methylpiperidine-2,6-dione
CID 80938094
1-methyl-3-[[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]piperidine-2,6-dione
CID 80856468
3-[[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]amino]-1-methylpyrrolidine-2,5-dione
CID 80959483
3-[(6-hydrazinyl-2-methylpyrimidin-4-yl)amino]-1-methylpiperidine-2,6-dione
CID 80924688
3-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]-1-methylpiperidine-2,6-dione
CID 136976212
2-N-(2-bicyclo[2.2.1]heptanyl)-6-N-ethylpyrazine-2,6-diamine
CID 78997552
3-[(2-hydrazinyl-6-methylpyrimidin-4-yl)amino]-1-methylpiperidine-2,6-dione
CID 80921244
6-N-ethyl-2-N-(2-methylcyclohexyl)pyrazine-2,6-diamine
CID 78917909
3-[(6-amino-2-propan-2-ylpyrimidin-4-yl)amino]-1-methylpiperidine-2,6-dione
CID 80959212
3-[(3-chloro-4-pyridinyl)amino]-1-methylpiperidine-2,6-dione
CID 79840717

Frequently Asked Questions

What is the IUPAC name of 3-[[6-(ethylamino)pyrazin-2-yl]amino]-1-methylpiperidine-2,6-dione?
The IUPAC name of 3-[[6-(ethylamino)pyrazin-2-yl]amino]-1-methylpiperidine-2,6-dione (CID 80855845) is 3-[[6-(ethylamino)pyrazin-2-yl]amino]-1-methylpiperidine-2,6-dione.
What is the SMILES notation for 3-[[6-(ethylamino)pyrazin-2-yl]amino]-1-methylpiperidine-2,6-dione?
The canonical SMILES for 3-[[6-(ethylamino)pyrazin-2-yl]amino]-1-methylpiperidine-2,6-dione is CCNc1cncc(NC2CCC(=O)N(C)C2=O)n1.
What is the InChIKey of 3-[[6-(ethylamino)pyrazin-2-yl]amino]-1-methylpiperidine-2,6-dione?
The InChIKey is HKBQMQJMMMVVON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O2/c1-3-14-9-6-13-7-10(16-9)15-8-4-5-11(18)17(2)12(8)19/h6-8H,3-5H2,1-2H3,(H2,14,15,16).
What are the key properties of 3-[[6-(ethylamino)pyrazin-2-yl]amino]-1-methylpiperidine-2,6-dione?
3-[[6-(ethylamino)pyrazin-2-yl]amino]-1-methylpiperidine-2,6-dione has a molecular weight of 263.30 g/mol, XLogP of 0.47, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-(ethylamino)pyrazin-2-yl]amino]-1-methylpiperidine-2,6-dione is sourced from PubChem (CID 80855845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).