4-[2-(ethylamino)pyrimidin-4-yl]-3-methylpiperazine-2,6-dione

C11H15N5O2 — CID 80851303

IUPAC4-[2-(ethylamino)pyrimidin-4-yl]-3-methylpiperazine-2,6-dione
SMILESCCNc1nccc(N2CC(=O)NC(=O)C2C)n1
InChIInChI=1S/C11H15N5O2/c1-3-12-11-13-5-4-8(14-11)16-6-9(17)15-10(18)7(16)2/h4-5,7H,3,6H2,1-2H3,(H,12,13,14)(H,15,17,18)
InChIKeyOQBJEYZQFKOYPJ-UHFFFAOYSA-N
MW249.27 g/mol
LogP-0.24
Rot. Bonds3

About 4-[2-(ethylamino)pyrimidin-4-yl]-3-methylpiperazine-2,6-dione

4-[2-(ethylamino)pyrimidin-4-yl]-3-methylpiperazine-2,6-dione (PubChem CID 80851303) has the molecular formula C11H15N5O2 and a molecular weight of 249.27 g/mol. Its IUPAC name is 4-[2-(ethylamino)pyrimidin-4-yl]-3-methylpiperazine-2,6-dione.

Molecular Properties

Compound Name4-[2-(ethylamino)pyrimidin-4-yl]-3-methylpiperazine-2,6-dione
PubChem CID80851303
Molecular FormulaC11H15N5O2
Molecular Weight249.27 g/mol
Exact Mass249.12
IUPAC Name4-[2-(ethylamino)pyrimidin-4-yl]-3-methylpiperazine-2,6-dione
SMILESCCNc1nccc(N2CC(=O)NC(=O)C2C)n1
InChIInChI=1S/C11H15N5O2/c1-3-12-11-13-5-4-8(14-11)16-6-9(17)15-10(18)7(16)2/h4-5,7H,3,6H2,1-2H3,(H,12,13,14)(H,15,17,18)
InChIKeyOQBJEYZQFKOYPJ-UHFFFAOYSA-N
XLogP-0.24
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(ethylamino)pyrimidin-4-yl]-3-methylpiperazine-2,6-dione?
The IUPAC name of 4-[2-(ethylamino)pyrimidin-4-yl]-3-methylpiperazine-2,6-dione (CID 80851303) is 4-[2-(ethylamino)pyrimidin-4-yl]-3-methylpiperazine-2,6-dione.
What is the SMILES notation for 4-[2-(ethylamino)pyrimidin-4-yl]-3-methylpiperazine-2,6-dione?
The canonical SMILES for 4-[2-(ethylamino)pyrimidin-4-yl]-3-methylpiperazine-2,6-dione is CCNc1nccc(N2CC(=O)NC(=O)C2C)n1.
What is the InChIKey of 4-[2-(ethylamino)pyrimidin-4-yl]-3-methylpiperazine-2,6-dione?
The InChIKey is OQBJEYZQFKOYPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O2/c1-3-12-11-13-5-4-8(14-11)16-6-9(17)15-10(18)7(16)2/h4-5,7H,3,6H2,1-2H3,(H,12,13,14)(H,15,17,18).
What are the key properties of 4-[2-(ethylamino)pyrimidin-4-yl]-3-methylpiperazine-2,6-dione?
4-[2-(ethylamino)pyrimidin-4-yl]-3-methylpiperazine-2,6-dione has a molecular weight of 249.27 g/mol, XLogP of -0.24, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(ethylamino)pyrimidin-4-yl]-3-methylpiperazine-2,6-dione is sourced from PubChem (CID 80851303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).