3-(6-oxo-4-propan-2-ylpyrimidin-1-yl)piperidine-2,6-dione

C12H15N3O3 — CID 167060680

IUPAC3-(6-oxo-4-propan-2-ylpyrimidin-1-yl)piperidine-2,6-dione
SMILESCC(C)c1cc(=O)n(C2CCC(=O)NC2=O)cn1
InChIInChI=1S/C12H15N3O3/c1-7(2)8-5-11(17)15(6-13-8)9-3-4-10(16)14-12(9)18/h5-7,9H,3-4H2,1-2H3,(H,14,16,18)
InChIKeyJPKYGSJEUFIVAN-UHFFFAOYSA-N
MW249.27 g/mol
LogP0.34
Rot. Bonds2

About 3-(6-oxo-4-propan-2-ylpyrimidin-1-yl)piperidine-2,6-dione

3-(6-oxo-4-propan-2-ylpyrimidin-1-yl)piperidine-2,6-dione (PubChem CID 167060680) has the molecular formula C12H15N3O3 and a molecular weight of 249.27 g/mol. Its IUPAC name is 3-(6-oxo-4-propan-2-ylpyrimidin-1-yl)piperidine-2,6-dione.

Molecular Properties

Compound Name3-(6-oxo-4-propan-2-ylpyrimidin-1-yl)piperidine-2,6-dione
PubChem CID167060680
Molecular FormulaC12H15N3O3
Molecular Weight249.27 g/mol
Exact Mass249.11
IUPAC Name3-(6-oxo-4-propan-2-ylpyrimidin-1-yl)piperidine-2,6-dione
SMILESCC(C)c1cc(=O)n(C2CCC(=O)NC2=O)cn1
InChIInChI=1S/C12H15N3O3/c1-7(2)8-5-11(17)15(6-13-8)9-3-4-10(16)14-12(9)18/h5-7,9H,3-4H2,1-2H3,(H,14,16,18)
InChIKeyJPKYGSJEUFIVAN-UHFFFAOYSA-N
XLogP0.34
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(2,4-Dimethyl-6-oxopyrimidin-1-yl)piperidine-2,6-dione
CID 134488797
3-[3-[(Z)-but-2-en-2-yl]-4-(methylideneamino)-2,5-dioxopyrrol-1-yl]piperidine-2,6-dione
CID 145382111
3-[5-ethenyl-2-methyl-6-oxo-4-[(Z)-prop-1-enyl]pyrimidin-1-yl]piperidine-2,6-dione
CID 154671437
Ethane;3-(4-ethenyl-2-methyl-6-oxo-5-prop-1-en-2-ylpyrimidin-1-yl)piperidine-2,6-dione
CID 162522044
2,6-Dimethyl-3-(6-methylidene-2-oxopiperidin-3-yl)pyrimidin-4-one
CID 163428851
3-[2-methyl-6-oxo-4,5-bis[(Z)-prop-1-enyl]pyrimidin-1-yl]piperidine-2,6-dione
CID 166960476
N-(2,6-dioxopiperidin-3-yl)-N-(4-methylpent-1-en-2-yliminomethyl)acetamide
CID 167060700
ethane;3-[(4E,5E)-4-ethylidene-6-oxo-5-prop-2-enylidenepyrimidin-1-yl]piperidine-2,6-dione;2-methylpropane
CID 168189498
3-[2-methyl-6-oxo-4-[(1Z,3E)-penta-1,3-dienyl]-5-[(Z)-prop-1-enyl]pyrimidin-1-yl]piperidine-2,6-dione
CID 169951345
ethane;3-[(4E)-6-oxo-5-propan-2-ylidene-4-propylidenepyrimidin-1-yl]piperidine-2,6-dione
CID 177240379
ethane;3-[(4E,5E)-5-ethylidene-6-oxo-4-propylidenepyrimidin-1-yl]piperidine-2,6-dione
CID 177240393
ethane;ethene;3-[(5E)-5-ethylidene-6-oxo-4-propan-2-ylidenepyrimidin-1-yl]piperidine-2,6-dione
CID 177318464

Frequently Asked Questions

What is the IUPAC name of 3-(6-oxo-4-propan-2-ylpyrimidin-1-yl)piperidine-2,6-dione?
The IUPAC name of 3-(6-oxo-4-propan-2-ylpyrimidin-1-yl)piperidine-2,6-dione (CID 167060680) is 3-(6-oxo-4-propan-2-ylpyrimidin-1-yl)piperidine-2,6-dione.
What is the SMILES notation for 3-(6-oxo-4-propan-2-ylpyrimidin-1-yl)piperidine-2,6-dione?
The canonical SMILES for 3-(6-oxo-4-propan-2-ylpyrimidin-1-yl)piperidine-2,6-dione is CC(C)c1cc(=O)n(C2CCC(=O)NC2=O)cn1.
What is the InChIKey of 3-(6-oxo-4-propan-2-ylpyrimidin-1-yl)piperidine-2,6-dione?
The InChIKey is JPKYGSJEUFIVAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3/c1-7(2)8-5-11(17)15(6-13-8)9-3-4-10(16)14-12(9)18/h5-7,9H,3-4H2,1-2H3,(H,14,16,18).
What are the key properties of 3-(6-oxo-4-propan-2-ylpyrimidin-1-yl)piperidine-2,6-dione?
3-(6-oxo-4-propan-2-ylpyrimidin-1-yl)piperidine-2,6-dione has a molecular weight of 249.27 g/mol, XLogP of 0.34, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-oxo-4-propan-2-ylpyrimidin-1-yl)piperidine-2,6-dione is sourced from PubChem (CID 167060680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).