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

C11H13N3O3 — CID 134488797

IUPAC3-(2,4-dimethyl-6-oxopyrimidin-1-yl)piperidine-2,6-dione
SMILESCc1cc(=O)n(C2CCC(=O)NC2=O)c(C)n1
InChIInChI=1S/C11H13N3O3/c1-6-5-10(16)14(7(2)12-6)8-3-4-9(15)13-11(8)17/h5,8H,3-4H2,1-2H3,(H,13,15,17)
InChIKeyULEKCMVQTCTETO-UHFFFAOYSA-N
MW235.24 g/mol
LogP-0.16
Rot. Bonds1

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

3-(2,4-dimethyl-6-oxopyrimidin-1-yl)piperidine-2,6-dione (PubChem CID 134488797) has the molecular formula C11H13N3O3 and a molecular weight of 235.24 g/mol. Its IUPAC name is 3-(2,4-dimethyl-6-oxopyrimidin-1-yl)piperidine-2,6-dione.

Molecular Properties

Compound Name3-(2,4-dimethyl-6-oxopyrimidin-1-yl)piperidine-2,6-dione
PubChem CID134488797
Molecular FormulaC11H13N3O3
Molecular Weight235.24 g/mol
Exact Mass235.10
IUPAC Name3-(2,4-dimethyl-6-oxopyrimidin-1-yl)piperidine-2,6-dione
SMILESCc1cc(=O)n(C2CCC(=O)NC2=O)c(C)n1
InChIInChI=1S/C11H13N3O3/c1-6-5-10(16)14(7(2)12-6)8-3-4-9(15)13-11(8)17/h5,8H,3-4H2,1-2H3,(H,13,15,17)
InChIKeyULEKCMVQTCTETO-UHFFFAOYSA-N
XLogP-0.16
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(2,4-dimethyl-6-oxopyrimidin-1-yl)piperidine-2,6-dione?
The IUPAC name of 3-(2,4-dimethyl-6-oxopyrimidin-1-yl)piperidine-2,6-dione (CID 134488797) is 3-(2,4-dimethyl-6-oxopyrimidin-1-yl)piperidine-2,6-dione.
What is the SMILES notation for 3-(2,4-dimethyl-6-oxopyrimidin-1-yl)piperidine-2,6-dione?
The canonical SMILES for 3-(2,4-dimethyl-6-oxopyrimidin-1-yl)piperidine-2,6-dione is Cc1cc(=O)n(C2CCC(=O)NC2=O)c(C)n1.
What is the InChIKey of 3-(2,4-dimethyl-6-oxopyrimidin-1-yl)piperidine-2,6-dione?
The InChIKey is ULEKCMVQTCTETO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3/c1-6-5-10(16)14(7(2)12-6)8-3-4-9(15)13-11(8)17/h5,8H,3-4H2,1-2H3,(H,13,15,17).
What are the key properties of 3-(2,4-dimethyl-6-oxopyrimidin-1-yl)piperidine-2,6-dione?
3-(2,4-dimethyl-6-oxopyrimidin-1-yl)piperidine-2,6-dione has a molecular weight of 235.24 g/mol, XLogP of -0.16, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethyl-6-oxopyrimidin-1-yl)piperidine-2,6-dione is sourced from PubChem (CID 134488797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).