ethane;3-(5-methylpyrimidin-2-yl)piperidine-2,6-dione

C12H17N3O2 — CID 171565294

IUPACethane;3-(5-methylpyrimidin-2-yl)piperidine-2,6-dione
SMILESCC.Cc1cnc(C2CCC(=O)NC2=O)nc1
InChIInChI=1S/C10H11N3O2.C2H6/c1-6-4-11-9(12-5-6)7-2-3-8(14)13-10(7)15;1-2/h4-5,7H,2-3H2,1H3,(H,13,14,15);1-2H3
InChIKeyPCJMUGZLZLKXMR-UHFFFAOYSA-N
MW235.29 g/mol
LogP1.33
Rot. Bonds1

About ethane;3-(5-methylpyrimidin-2-yl)piperidine-2,6-dione

ethane;3-(5-methylpyrimidin-2-yl)piperidine-2,6-dione (PubChem CID 171565294) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is ethane;3-(5-methylpyrimidin-2-yl)piperidine-2,6-dione.

Molecular Properties

Compound Nameethane;3-(5-methylpyrimidin-2-yl)piperidine-2,6-dione
PubChem CID171565294
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Nameethane;3-(5-methylpyrimidin-2-yl)piperidine-2,6-dione
SMILESCC.Cc1cnc(C2CCC(=O)NC2=O)nc1
InChIInChI=1S/C10H11N3O2.C2H6/c1-6-4-11-9(12-5-6)7-2-3-8(14)13-10(7)15;1-2/h4-5,7H,2-3H2,1H3,(H,13,14,15);1-2H3
InChIKeyPCJMUGZLZLKXMR-UHFFFAOYSA-N
XLogP1.33
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(5-aminopyrimidin-2-yl)piperidine-2,6-dione
CID 177240318
3-(5-methyl-3-pyridinyl)piperidine-2,6-dione
CID 167474889
(3S)-3-(4-methylphenyl)piperidine-2,6-dione
CID 94766924
3-(4-tert-butylpyrimidin-2-yl)piperidine-2,6-dione
CID 168842408
3-(6-amino-3-pyridinyl)piperidine-2,6-dione;hydrochloride
CID 166552755
3-(3-methoxy-5-methylphenyl)piperidine-2,6-dione
CID 176559595
ethane;3-(2-fluoro-4-methylphenyl)piperidine-2,6-dione
CID 176684006
ethane;molecular hydrogen;3-pyridin-3-ylpiperidine-2,6-dione
CID 177198142
3-(4-aminophenyl)piperidine-2,6-dione;ethane
CID 177052461
3-[1,5-bis[(Z)-prop-1-enyl]imidazol-2-yl]piperidine-2,6-dione
CID 166536427
3-(6-propan-2-ylpyridazin-4-yl)piperidine-2,6-dione
CID 168752475
3-(2-hydroxy-4-methylphenyl)piperidine-2,6-dione
CID 171127244

Frequently Asked Questions

What is the IUPAC name of ethane;3-(5-methylpyrimidin-2-yl)piperidine-2,6-dione?
The IUPAC name of ethane;3-(5-methylpyrimidin-2-yl)piperidine-2,6-dione (CID 171565294) is ethane;3-(5-methylpyrimidin-2-yl)piperidine-2,6-dione.
What is the SMILES notation for ethane;3-(5-methylpyrimidin-2-yl)piperidine-2,6-dione?
The canonical SMILES for ethane;3-(5-methylpyrimidin-2-yl)piperidine-2,6-dione is CC.Cc1cnc(C2CCC(=O)NC2=O)nc1.
What is the InChIKey of ethane;3-(5-methylpyrimidin-2-yl)piperidine-2,6-dione?
The InChIKey is PCJMUGZLZLKXMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2.C2H6/c1-6-4-11-9(12-5-6)7-2-3-8(14)13-10(7)15;1-2/h4-5,7H,2-3H2,1H3,(H,13,14,15);1-2H3.
What are the key properties of ethane;3-(5-methylpyrimidin-2-yl)piperidine-2,6-dione?
ethane;3-(5-methylpyrimidin-2-yl)piperidine-2,6-dione has a molecular weight of 235.29 g/mol, XLogP of 1.33, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-(5-methylpyrimidin-2-yl)piperidine-2,6-dione is sourced from PubChem (CID 171565294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).