3-(4-ethoxy-6-oxopyrimidin-1-yl)piperidine-2,6-dione

C11H13N3O4 — CID 135279004

IUPAC3-(4-ethoxy-6-oxopyrimidin-1-yl)piperidine-2,6-dione
SMILESCCOc1cc(=O)n(C2CCC(=O)NC2=O)cn1
InChIInChI=1S/C11H13N3O4/c1-2-18-9-5-10(16)14(6-12-9)7-3-4-8(15)13-11(7)17/h5-7H,2-4H2,1H3,(H,13,15,17)
InChIKeyFDSSSFSXMKVKBF-UHFFFAOYSA-N
MW251.24 g/mol
LogP-0.38
Rot. Bonds3

About 3-(4-ethoxy-6-oxopyrimidin-1-yl)piperidine-2,6-dione

3-(4-ethoxy-6-oxopyrimidin-1-yl)piperidine-2,6-dione (PubChem CID 135279004) has the molecular formula C11H13N3O4 and a molecular weight of 251.24 g/mol. Its IUPAC name is 3-(4-ethoxy-6-oxopyrimidin-1-yl)piperidine-2,6-dione.

Molecular Properties

Compound Name3-(4-ethoxy-6-oxopyrimidin-1-yl)piperidine-2,6-dione
PubChem CID135279004
Molecular FormulaC11H13N3O4
Molecular Weight251.24 g/mol
Exact Mass251.09
IUPAC Name3-(4-ethoxy-6-oxopyrimidin-1-yl)piperidine-2,6-dione
SMILESCCOc1cc(=O)n(C2CCC(=O)NC2=O)cn1
InChIInChI=1S/C11H13N3O4/c1-2-18-9-5-10(16)14(6-12-9)7-3-4-8(15)13-11(7)17/h5-7H,2-4H2,1H3,(H,13,15,17)
InChIKeyFDSSSFSXMKVKBF-UHFFFAOYSA-N
XLogP-0.38
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.24
LogP ≤ 5-0.38
H-Bond Donors ≤ 51
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 3-(4-ethoxy-6-oxopyrimidin-1-yl)piperidine-2,6-dione?
The IUPAC name of 3-(4-ethoxy-6-oxopyrimidin-1-yl)piperidine-2,6-dione (CID 135279004) is 3-(4-ethoxy-6-oxopyrimidin-1-yl)piperidine-2,6-dione.
What is the SMILES notation for 3-(4-ethoxy-6-oxopyrimidin-1-yl)piperidine-2,6-dione?
The canonical SMILES for 3-(4-ethoxy-6-oxopyrimidin-1-yl)piperidine-2,6-dione is CCOc1cc(=O)n(C2CCC(=O)NC2=O)cn1.
What is the InChIKey of 3-(4-ethoxy-6-oxopyrimidin-1-yl)piperidine-2,6-dione?
The InChIKey is FDSSSFSXMKVKBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O4/c1-2-18-9-5-10(16)14(6-12-9)7-3-4-8(15)13-11(7)17/h5-7H,2-4H2,1H3,(H,13,15,17).
What are the key properties of 3-(4-ethoxy-6-oxopyrimidin-1-yl)piperidine-2,6-dione?
3-(4-ethoxy-6-oxopyrimidin-1-yl)piperidine-2,6-dione has a molecular weight of 251.24 g/mol, XLogP of -0.38, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxy-6-oxopyrimidin-1-yl)piperidine-2,6-dione is sourced from PubChem (CID 135279004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).