3-ethyl-4-[5-ethyl-6-(methylamino)pyrimidin-4-yl]piperazine-2,6-dione

C13H19N5O2 — CID 80851469

IUPAC3-ethyl-4-[5-ethyl-6-(methylamino)pyrimidin-4-yl]piperazine-2,6-dione
SMILESCCc1c(NC)ncnc1N1CC(=O)NC(=O)C1CC
InChIInChI=1S/C13H19N5O2/c1-4-8-11(14-3)15-7-16-12(8)18-6-10(19)17-13(20)9(18)5-2/h7,9H,4-6H2,1-3H3,(H,14,15,16)(H,17,19,20)
InChIKeyIFGJLYVAYDQZIZ-UHFFFAOYSA-N
MW277.33 g/mol
LogP0.32
Rot. Bonds4

About 3-ethyl-4-[5-ethyl-6-(methylamino)pyrimidin-4-yl]piperazine-2,6-dione

3-ethyl-4-[5-ethyl-6-(methylamino)pyrimidin-4-yl]piperazine-2,6-dione (PubChem CID 80851469) has the molecular formula C13H19N5O2 and a molecular weight of 277.33 g/mol. Its IUPAC name is 3-ethyl-4-[5-ethyl-6-(methylamino)pyrimidin-4-yl]piperazine-2,6-dione.

Molecular Properties

Compound Name3-ethyl-4-[5-ethyl-6-(methylamino)pyrimidin-4-yl]piperazine-2,6-dione
PubChem CID80851469
Molecular FormulaC13H19N5O2
Molecular Weight277.33 g/mol
Exact Mass277.15
IUPAC Name3-ethyl-4-[5-ethyl-6-(methylamino)pyrimidin-4-yl]piperazine-2,6-dione
SMILESCCc1c(NC)ncnc1N1CC(=O)NC(=O)C1CC
InChIInChI=1S/C13H19N5O2/c1-4-8-11(14-3)15-7-16-12(8)18-6-10(19)17-13(20)9(18)5-2/h7,9H,4-6H2,1-3H3,(H,14,15,16)(H,17,19,20)
InChIKeyIFGJLYVAYDQZIZ-UHFFFAOYSA-N
XLogP0.32
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 50.32
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-ethyl-4-(6-hydrazinyl-5-nitropyrimidin-4-yl)piperazine-2,6-dione
CID 80925457
4-(6-chloro-5-methylpyrimidin-4-yl)-3-ethylpiperazine-2,6-dione
CID 66067833
4-(5-bromopyrimidin-4-yl)-3-ethylpiperazine-2,6-dione
CID 66319098
4-[5-bromo-6-(methylamino)pyrimidin-4-yl]-3-methylpiperazine-2,6-dione
CID 114072480
4-[3-(aminomethyl)pyrazin-2-yl]-3-ethylpiperazine-2,6-dione
CID 66068280
6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-5-ethyl-N-methylpyrimidin-4-amine
CID 82753042
4-(3,5-dichloro-6-hydrazinyl-2-pyridinyl)-3-ethylpiperazine-2,6-dione
CID 102762240
6-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-5-ethyl-N-methylpyrimidin-4-amine
CID 80811776
4-[3-(aminomethyl)-2-pyridinyl]-3-ethylpiperazine-2,6-dione
CID 66068862
5-ethyl-N-methyl-6-(3-methylmorpholin-4-yl)pyrimidin-4-amine
CID 80780914
5-ethyl-N-methyl-6-piperidin-1-ylpyrimidin-4-amine
CID 80763765
6-(3,5-diethylpyrazol-1-yl)-5-ethyl-N-methylpyrimidin-4-amine
CID 82698482

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-[5-ethyl-6-(methylamino)pyrimidin-4-yl]piperazine-2,6-dione?
The IUPAC name of 3-ethyl-4-[5-ethyl-6-(methylamino)pyrimidin-4-yl]piperazine-2,6-dione (CID 80851469) is 3-ethyl-4-[5-ethyl-6-(methylamino)pyrimidin-4-yl]piperazine-2,6-dione.
What is the SMILES notation for 3-ethyl-4-[5-ethyl-6-(methylamino)pyrimidin-4-yl]piperazine-2,6-dione?
The canonical SMILES for 3-ethyl-4-[5-ethyl-6-(methylamino)pyrimidin-4-yl]piperazine-2,6-dione is CCc1c(NC)ncnc1N1CC(=O)NC(=O)C1CC.
What is the InChIKey of 3-ethyl-4-[5-ethyl-6-(methylamino)pyrimidin-4-yl]piperazine-2,6-dione?
The InChIKey is IFGJLYVAYDQZIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O2/c1-4-8-11(14-3)15-7-16-12(8)18-6-10(19)17-13(20)9(18)5-2/h7,9H,4-6H2,1-3H3,(H,14,15,16)(H,17,19,20).
What are the key properties of 3-ethyl-4-[5-ethyl-6-(methylamino)pyrimidin-4-yl]piperazine-2,6-dione?
3-ethyl-4-[5-ethyl-6-(methylamino)pyrimidin-4-yl]piperazine-2,6-dione has a molecular weight of 277.33 g/mol, XLogP of 0.32, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-[5-ethyl-6-(methylamino)pyrimidin-4-yl]piperazine-2,6-dione is sourced from PubChem (CID 80851469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).