3-[(6-amino-2-ethylpyrimidin-4-yl)amino]piperidine-2,6-dione

C11H15N5O2 — CID 80941106

IUPAC3-[(6-amino-2-ethylpyrimidin-4-yl)amino]piperidine-2,6-dione
SMILESCCc1nc(N)cc(NC2CCC(=O)NC2=O)n1
InChIInChI=1S/C11H15N5O2/c1-2-8-14-7(12)5-9(15-8)13-6-3-4-10(17)16-11(6)18/h5-6H,2-4H2,1H3,(H,16,17,18)(H3,12,13,14,15)
InChIKeyUMKWXVMFZUNZMD-UHFFFAOYSA-N
MW249.27 g/mol
LogP-0.16
Rot. Bonds3

About 3-[(6-amino-2-ethylpyrimidin-4-yl)amino]piperidine-2,6-dione

3-[(6-amino-2-ethylpyrimidin-4-yl)amino]piperidine-2,6-dione (PubChem CID 80941106) has the molecular formula C11H15N5O2 and a molecular weight of 249.27 g/mol. Its IUPAC name is 3-[(6-amino-2-ethylpyrimidin-4-yl)amino]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[(6-amino-2-ethylpyrimidin-4-yl)amino]piperidine-2,6-dione
PubChem CID80941106
Molecular FormulaC11H15N5O2
Molecular Weight249.27 g/mol
Exact Mass249.12
IUPAC Name3-[(6-amino-2-ethylpyrimidin-4-yl)amino]piperidine-2,6-dione
SMILESCCc1nc(N)cc(NC2CCC(=O)NC2=O)n1
InChIInChI=1S/C11H15N5O2/c1-2-8-14-7(12)5-9(15-8)13-6-3-4-10(17)16-11(6)18/h5-6H,2-4H2,1H3,(H,16,17,18)(H3,12,13,14,15)
InChIKeyUMKWXVMFZUNZMD-UHFFFAOYSA-N
XLogP-0.16
TPSA110.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 5-0.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-[(6-amino-2-ethylpyrimidin-4-yl)amino]piperidine-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-[(6-amino-2-ethylpyrimidin-4-yl)amino]piperidine-2,6-dione?
The IUPAC name of 3-[(6-amino-2-ethylpyrimidin-4-yl)amino]piperidine-2,6-dione (CID 80941106) is 3-[(6-amino-2-ethylpyrimidin-4-yl)amino]piperidine-2,6-dione.
What is the SMILES notation for 3-[(6-amino-2-ethylpyrimidin-4-yl)amino]piperidine-2,6-dione?
The canonical SMILES for 3-[(6-amino-2-ethylpyrimidin-4-yl)amino]piperidine-2,6-dione is CCc1nc(N)cc(NC2CCC(=O)NC2=O)n1.
What is the InChIKey of 3-[(6-amino-2-ethylpyrimidin-4-yl)amino]piperidine-2,6-dione?
The InChIKey is UMKWXVMFZUNZMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O2/c1-2-8-14-7(12)5-9(15-8)13-6-3-4-10(17)16-11(6)18/h5-6H,2-4H2,1H3,(H,16,17,18)(H3,12,13,14,15).
What are the key properties of 3-[(6-amino-2-ethylpyrimidin-4-yl)amino]piperidine-2,6-dione?
3-[(6-amino-2-ethylpyrimidin-4-yl)amino]piperidine-2,6-dione has a molecular weight of 249.27 g/mol, XLogP of -0.16, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-amino-2-ethylpyrimidin-4-yl)amino]piperidine-2,6-dione is sourced from PubChem (CID 80941106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).