3-[(5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-yl)amino]piperidine-2,6-dione

C11H18N4O2 — CID 114277259

IUPAC3-[(5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-yl)amino]piperidine-2,6-dione
SMILESCC1(C)CN=C(NC2CCC(=O)NC2=O)NC1
InChIInChI=1S/C11H18N4O2/c1-11(2)5-12-10(13-6-11)14-7-3-4-8(16)15-9(7)17/h7H,3-6H2,1-2H3,(H2,12,13,14)(H,15,16,17)
InChIKeyREVPEPUYJPPPCC-UHFFFAOYSA-N
MW238.29 g/mol
LogP-0.63
Rot. Bonds1

About 3-[(5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-yl)amino]piperidine-2,6-dione

3-[(5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-yl)amino]piperidine-2,6-dione (PubChem CID 114277259) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 3-[(5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-yl)amino]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[(5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-yl)amino]piperidine-2,6-dione
PubChem CID114277259
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name3-[(5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-yl)amino]piperidine-2,6-dione
SMILESCC1(C)CN=C(NC2CCC(=O)NC2=O)NC1
InChIInChI=1S/C11H18N4O2/c1-11(2)5-12-10(13-6-11)14-7-3-4-8(16)15-9(7)17/h7H,3-6H2,1-2H3,(H2,12,13,14)(H,15,16,17)
InChIKeyREVPEPUYJPPPCC-UHFFFAOYSA-N
XLogP-0.63
TPSA82.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 5-0.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[(5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-yl)amino]piperidine-2,6-dione with MolForge

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Related Compounds

3-[(5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-yl)amino]-1-methylpiperidine-2,6-dione
CID 114277260
N-(1-cyclopropylethyl)-5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-amine
CID 130513044
3-[(4-methylpyrazolo[1,5-a]pyridin-7-yl)amino]piperidine-2,6-dione
CID 171103569
3-[(6-propan-2-ylpyridazin-3-yl)amino]piperidine-2,6-dione
CID 177356085
3-[(3-bromo-5-methyl-2-pyridinyl)amino]piperidine-2,6-dione
CID 105367016
3-[(2-amino-3-pyridinyl)amino]piperidine-2,6-dione
CID 104540520
3-[(5-propan-2-yl-1,2-oxazol-3-yl)amino]piperidine-2,6-dione
CID 164720806
3-[4-(ethylamino)anilino]piperidine-2,6-dione
CID 166729742
3-(2,5-difluoroanilino)piperidine-2,6-dione
CID 170749830
3-[4-(2,2-dimethylpiperidin-4-yl)anilino]piperidine-2,6-dione
CID 166117287
ethane;3-(4-propan-2-ylanilino)piperidine-2,6-dione
CID 170749152
potassium 3-(anilino)piperidine-2,6-dione
CID 169190282

Frequently Asked Questions

What is the IUPAC name of 3-[(5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-yl)amino]piperidine-2,6-dione?
The IUPAC name of 3-[(5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-yl)amino]piperidine-2,6-dione (CID 114277259) is 3-[(5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-yl)amino]piperidine-2,6-dione.
What is the SMILES notation for 3-[(5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-yl)amino]piperidine-2,6-dione?
The canonical SMILES for 3-[(5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-yl)amino]piperidine-2,6-dione is CC1(C)CN=C(NC2CCC(=O)NC2=O)NC1.
What is the InChIKey of 3-[(5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-yl)amino]piperidine-2,6-dione?
The InChIKey is REVPEPUYJPPPCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-11(2)5-12-10(13-6-11)14-7-3-4-8(16)15-9(7)17/h7H,3-6H2,1-2H3,(H2,12,13,14)(H,15,16,17).
What are the key properties of 3-[(5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-yl)amino]piperidine-2,6-dione?
3-[(5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-yl)amino]piperidine-2,6-dione has a molecular weight of 238.29 g/mol, XLogP of -0.63, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-yl)amino]piperidine-2,6-dione is sourced from PubChem (CID 114277259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).