3-[(2-ethyl-6-hydrazinylpyrimidin-4-yl)amino]-1-methylpiperidine-2,6-dione

C12H18N6O2 — CID 80938094

IUPAC3-[(2-ethyl-6-hydrazinylpyrimidin-4-yl)amino]-1-methylpiperidine-2,6-dione
SMILESCCc1nc(NN)cc(NC2CCC(=O)N(C)C2=O)n1
InChIInChI=1S/C12H18N6O2/c1-3-8-15-9(6-10(16-8)17-13)14-7-4-5-11(19)18(2)12(7)20/h6-7H,3-5,13H2,1-2H3,(H2,14,15,16,17)
InChIKeyIWGFMADIHNZMGM-UHFFFAOYSA-N
MW278.32 g/mol
LogP-0.12
Rot. Bonds4

About 3-[(2-ethyl-6-hydrazinylpyrimidin-4-yl)amino]-1-methylpiperidine-2,6-dione

3-[(2-ethyl-6-hydrazinylpyrimidin-4-yl)amino]-1-methylpiperidine-2,6-dione (PubChem CID 80938094) has the molecular formula C12H18N6O2 and a molecular weight of 278.32 g/mol. Its IUPAC name is 3-[(2-ethyl-6-hydrazinylpyrimidin-4-yl)amino]-1-methylpiperidine-2,6-dione.

Molecular Properties

Compound Name3-[(2-ethyl-6-hydrazinylpyrimidin-4-yl)amino]-1-methylpiperidine-2,6-dione
PubChem CID80938094
Molecular FormulaC12H18N6O2
Molecular Weight278.32 g/mol
Exact Mass278.15
IUPAC Name3-[(2-ethyl-6-hydrazinylpyrimidin-4-yl)amino]-1-methylpiperidine-2,6-dione
SMILESCCc1nc(NN)cc(NC2CCC(=O)N(C)C2=O)n1
InChIInChI=1S/C12H18N6O2/c1-3-8-15-9(6-10(16-8)17-13)14-7-4-5-11(19)18(2)12(7)20/h6-7H,3-5,13H2,1-2H3,(H2,14,15,16,17)
InChIKeyIWGFMADIHNZMGM-UHFFFAOYSA-N
XLogP-0.12
TPSA113.24 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 5-0.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

3-[(6-hydrazinyl-2-methylpyrimidin-4-yl)amino]-1-methylpiperidine-2,6-dione
CID 80924688
3-[(2-hydrazinyl-6-methylpyrimidin-4-yl)amino]-1-methylpiperidine-2,6-dione
CID 80921244
3-[(2-ethyl-6-hydrazinylpyrimidin-4-yl)amino]piperidine-2,6-dione
CID 80938018
1-methyl-3-[[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]piperidine-2,6-dione
CID 80856468
3-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]-1-methylpiperidine-2,6-dione
CID 66326323
3-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]-1-methylpiperidine-2,6-dione
CID 136976212
3-[(6-amino-2-propan-2-ylpyrimidin-4-yl)amino]-1-methylpiperidine-2,6-dione
CID 80959212
3-[(5-ethyl-6-hydrazinylpyrimidin-4-yl)amino]-1-methylpiperidine-2,6-dione
CID 80924824
3-[[6-(ethylamino)pyrazin-2-yl]amino]-1-methylpiperidine-2,6-dione
CID 80855845
3-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]-1-methylpiperidine-2,6-dione
CID 106772364
2-ethyl-6-hydrazinyl-N-(oxolan-3-yl)pyrimidin-4-amine
CID 80937015
3-[(6-amino-2-ethylpyrimidin-4-yl)amino]piperidine-2,6-dione
CID 80941106

Frequently Asked Questions

What is the IUPAC name of 3-[(2-ethyl-6-hydrazinylpyrimidin-4-yl)amino]-1-methylpiperidine-2,6-dione?
The IUPAC name of 3-[(2-ethyl-6-hydrazinylpyrimidin-4-yl)amino]-1-methylpiperidine-2,6-dione (CID 80938094) is 3-[(2-ethyl-6-hydrazinylpyrimidin-4-yl)amino]-1-methylpiperidine-2,6-dione.
What is the SMILES notation for 3-[(2-ethyl-6-hydrazinylpyrimidin-4-yl)amino]-1-methylpiperidine-2,6-dione?
The canonical SMILES for 3-[(2-ethyl-6-hydrazinylpyrimidin-4-yl)amino]-1-methylpiperidine-2,6-dione is CCc1nc(NN)cc(NC2CCC(=O)N(C)C2=O)n1.
What is the InChIKey of 3-[(2-ethyl-6-hydrazinylpyrimidin-4-yl)amino]-1-methylpiperidine-2,6-dione?
The InChIKey is IWGFMADIHNZMGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6O2/c1-3-8-15-9(6-10(16-8)17-13)14-7-4-5-11(19)18(2)12(7)20/h6-7H,3-5,13H2,1-2H3,(H2,14,15,16,17).
What are the key properties of 3-[(2-ethyl-6-hydrazinylpyrimidin-4-yl)amino]-1-methylpiperidine-2,6-dione?
3-[(2-ethyl-6-hydrazinylpyrimidin-4-yl)amino]-1-methylpiperidine-2,6-dione has a molecular weight of 278.32 g/mol, XLogP of -0.12, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-ethyl-6-hydrazinylpyrimidin-4-yl)amino]-1-methylpiperidine-2,6-dione is sourced from PubChem (CID 80938094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).