3-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]piperidine-2,6-dione

C13H19N5O2 — CID 80941192

IUPAC3-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]piperidine-2,6-dione
SMILESCCNc1cc(NC2CCC(=O)NC2=O)nc(CC)n1
InChIInChI=1S/C13H19N5O2/c1-3-9-16-10(14-4-2)7-11(17-9)15-8-5-6-12(19)18-13(8)20/h7-8H,3-6H2,1-2H3,(H,18,19,20)(H2,14,15,16,17)
InChIKeyHFNBEQLIABTILF-UHFFFAOYSA-N
MW277.33 g/mol
LogP0.69
Rot. Bonds5

About 3-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]piperidine-2,6-dione

3-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]piperidine-2,6-dione (PubChem CID 80941192) has the molecular formula C13H19N5O2 and a molecular weight of 277.33 g/mol. Its IUPAC name is 3-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]piperidine-2,6-dione
PubChem CID80941192
Molecular FormulaC13H19N5O2
Molecular Weight277.33 g/mol
Exact Mass277.15
IUPAC Name3-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]piperidine-2,6-dione
SMILESCCNc1cc(NC2CCC(=O)NC2=O)nc(CC)n1
InChIInChI=1S/C13H19N5O2/c1-3-9-16-10(14-4-2)7-11(17-9)15-8-5-6-12(19)18-13(8)20/h7-8H,3-6H2,1-2H3,(H,18,19,20)(H2,14,15,16,17)
InChIKeyHFNBEQLIABTILF-UHFFFAOYSA-N
XLogP0.69
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 50.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[[2-ethyl-6-(propylamino)pyrimidin-4-yl]amino]piperidine-2,6-dione
CID 80938259
3-[(2-ethyl-6-hydrazinylpyrimidin-4-yl)amino]piperidine-2,6-dione
CID 80938018
3-[(6-amino-2-ethylpyrimidin-4-yl)amino]piperidine-2,6-dione
CID 80941106
3-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]piperidine-2,6-dione
CID 80855840
3-[4-(ethylamino)anilino]piperidine-2,6-dione
CID 166729742
3-[[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]piperidin-2-one
CID 80954552
3-[[6-(ethylamino)imidazo[1,2-a]pyrazin-8-yl]amino]piperidine-2,6-dione
CID 80833133
4-N-cyclooctyl-6-N,2-diethylpyrimidine-4,6-diamine
CID 80933432
4-N-(1,1-dioxothian-4-yl)-6-N,2-diethylpyrimidine-4,6-diamine
CID 80934204
4-[[2-(ethoxymethyl)-6-(ethylamino)pyrimidin-4-yl]amino]pyrrolidin-2-one
CID 106198301
ethane;3-(3-ethylanilino)piperidine-2,6-dione
CID 170586483
3-[(6-ethyl-3-pyridinyl)amino]piperidine-2,6-dione
CID 156515927

Frequently Asked Questions

What is the IUPAC name of 3-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]piperidine-2,6-dione?
The IUPAC name of 3-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]piperidine-2,6-dione (CID 80941192) is 3-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]piperidine-2,6-dione.
What is the SMILES notation for 3-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]piperidine-2,6-dione?
The canonical SMILES for 3-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]piperidine-2,6-dione is CCNc1cc(NC2CCC(=O)NC2=O)nc(CC)n1.
What is the InChIKey of 3-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]piperidine-2,6-dione?
The InChIKey is HFNBEQLIABTILF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O2/c1-3-9-16-10(14-4-2)7-11(17-9)15-8-5-6-12(19)18-13(8)20/h7-8H,3-6H2,1-2H3,(H,18,19,20)(H2,14,15,16,17).
What are the key properties of 3-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]piperidine-2,6-dione?
3-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]piperidine-2,6-dione has a molecular weight of 277.33 g/mol, XLogP of 0.69, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]piperidine-2,6-dione is sourced from PubChem (CID 80941192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).