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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).