1-pyrimidin-2-ylpiperidine-2,6-dione

C9H9N3O2 — CID 78323765

IUPAC1-pyrimidin-2-ylpiperidine-2,6-dione
SMILESO=C1CCCC(=O)N1c1ncccn1
InChIInChI=1S/C9H9N3O2/c13-7-3-1-4-8(14)12(7)9-10-5-2-6-11-9/h2,5-6H,1,3-4H2
InChIKeyZVCYSGVBANVJMT-UHFFFAOYSA-N
MW191.19 g/mol
LogP0.52
Rot. Bonds1

About 1-pyrimidin-2-ylpiperidine-2,6-dione

1-pyrimidin-2-ylpiperidine-2,6-dione (PubChem CID 78323765) has the molecular formula C9H9N3O2 and a molecular weight of 191.19 g/mol. Its IUPAC name is 1-pyrimidin-2-ylpiperidine-2,6-dione.

Molecular Properties

Compound Name1-pyrimidin-2-ylpiperidine-2,6-dione
PubChem CID78323765
Molecular FormulaC9H9N3O2
Molecular Weight191.19 g/mol
Exact Mass191.07
IUPAC Name1-pyrimidin-2-ylpiperidine-2,6-dione
SMILESO=C1CCCC(=O)N1c1ncccn1
InChIInChI=1S/C9H9N3O2/c13-7-3-1-4-8(14)12(7)9-10-5-2-6-11-9/h2,5-6H,1,3-4H2
InChIKeyZVCYSGVBANVJMT-UHFFFAOYSA-N
XLogP0.52
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 50.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-pyrimidin-2-ylpiperidine-2,6-dione?
The IUPAC name of 1-pyrimidin-2-ylpiperidine-2,6-dione (CID 78323765) is 1-pyrimidin-2-ylpiperidine-2,6-dione.
What is the SMILES notation for 1-pyrimidin-2-ylpiperidine-2,6-dione?
The canonical SMILES for 1-pyrimidin-2-ylpiperidine-2,6-dione is O=C1CCCC(=O)N1c1ncccn1.
What is the InChIKey of 1-pyrimidin-2-ylpiperidine-2,6-dione?
The InChIKey is ZVCYSGVBANVJMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O2/c13-7-3-1-4-8(14)12(7)9-10-5-2-6-11-9/h2,5-6H,1,3-4H2.
What are the key properties of 1-pyrimidin-2-ylpiperidine-2,6-dione?
1-pyrimidin-2-ylpiperidine-2,6-dione has a molecular weight of 191.19 g/mol, XLogP of 0.52, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrimidin-2-ylpiperidine-2,6-dione is sourced from PubChem (CID 78323765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).