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

C12H20N4O2 — CID 114277260

IUPAC3-[(5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-yl)amino]-1-methylpiperidine-2,6-dione
SMILESCN1C(=O)CCC(NC2=NCC(C)(C)CN2)C1=O
InChIInChI=1S/C12H20N4O2/c1-12(2)6-13-11(14-7-12)15-8-4-5-9(17)16(3)10(8)18/h8H,4-7H2,1-3H3,(H2,13,14,15)
InChIKeyNEIBMDJHTCDOIR-UHFFFAOYSA-N
MW252.32 g/mol
LogP-0.29
Rot. Bonds1

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

3-[(5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-yl)amino]-1-methylpiperidine-2,6-dione (PubChem CID 114277260) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 3-[(5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-yl)amino]-1-methylpiperidine-2,6-dione.

Molecular Properties

Compound Name3-[(5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-yl)amino]-1-methylpiperidine-2,6-dione
PubChem CID114277260
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name3-[(5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-yl)amino]-1-methylpiperidine-2,6-dione
SMILESCN1C(=O)CCC(NC2=NCC(C)(C)CN2)C1=O
InChIInChI=1S/C12H20N4O2/c1-12(2)6-13-11(14-7-12)15-8-4-5-9(17)16(3)10(8)18/h8H,4-7H2,1-3H3,(H2,13,14,15)
InChIKeyNEIBMDJHTCDOIR-UHFFFAOYSA-N
XLogP-0.29
TPSA73.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
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-[(5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-yl)amino]-1-methylpiperidine-2,6-dione?
The IUPAC name of 3-[(5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-yl)amino]-1-methylpiperidine-2,6-dione (CID 114277260) is 3-[(5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-yl)amino]-1-methylpiperidine-2,6-dione.
What is the SMILES notation for 3-[(5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-yl)amino]-1-methylpiperidine-2,6-dione?
The canonical SMILES for 3-[(5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-yl)amino]-1-methylpiperidine-2,6-dione is CN1C(=O)CCC(NC2=NCC(C)(C)CN2)C1=O.
What is the InChIKey of 3-[(5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-yl)amino]-1-methylpiperidine-2,6-dione?
The InChIKey is NEIBMDJHTCDOIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-12(2)6-13-11(14-7-12)15-8-4-5-9(17)16(3)10(8)18/h8H,4-7H2,1-3H3,(H2,13,14,15).
What are the key properties of 3-[(5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-yl)amino]-1-methylpiperidine-2,6-dione?
3-[(5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-yl)amino]-1-methylpiperidine-2,6-dione has a molecular weight of 252.32 g/mol, XLogP of -0.29, 1 rotatable bonds, 2 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]-1-methylpiperidine-2,6-dione is sourced from PubChem (CID 114277260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).