3-[(4,6-dimethoxypyrimidin-2-yl)amino]piperidine-2,6-dione

C11H14N4O4 — CID 115355191

IUPAC3-[(4,6-dimethoxypyrimidin-2-yl)amino]piperidine-2,6-dione
SMILESCOc1cc(OC)nc(NC2CCC(=O)NC2=O)n1
InChIInChI=1S/C11H14N4O4/c1-18-8-5-9(19-2)15-11(14-8)12-6-3-4-7(16)13-10(6)17/h5-6H,3-4H2,1-2H3,(H,12,14,15)(H,13,16,17)
InChIKeyRVWVFTIITLFLKT-UHFFFAOYSA-N
MW266.26 g/mol
LogP-0.29
Rot. Bonds4

About 3-[(4,6-dimethoxypyrimidin-2-yl)amino]piperidine-2,6-dione

3-[(4,6-dimethoxypyrimidin-2-yl)amino]piperidine-2,6-dione (PubChem CID 115355191) has the molecular formula C11H14N4O4 and a molecular weight of 266.26 g/mol. Its IUPAC name is 3-[(4,6-dimethoxypyrimidin-2-yl)amino]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[(4,6-dimethoxypyrimidin-2-yl)amino]piperidine-2,6-dione
PubChem CID115355191
Molecular FormulaC11H14N4O4
Molecular Weight266.26 g/mol
Exact Mass266.10
IUPAC Name3-[(4,6-dimethoxypyrimidin-2-yl)amino]piperidine-2,6-dione
SMILESCOc1cc(OC)nc(NC2CCC(=O)NC2=O)n1
InChIInChI=1S/C11H14N4O4/c1-18-8-5-9(19-2)15-11(14-8)12-6-3-4-7(16)13-10(6)17/h5-6H,3-4H2,1-2H3,(H,12,14,15)(H,13,16,17)
InChIKeyRVWVFTIITLFLKT-UHFFFAOYSA-N
XLogP-0.29
TPSA102.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.26
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-[(4,6-dimethoxypyrimidin-2-yl)amino]piperidine-2,6-dione?
The IUPAC name of 3-[(4,6-dimethoxypyrimidin-2-yl)amino]piperidine-2,6-dione (CID 115355191) is 3-[(4,6-dimethoxypyrimidin-2-yl)amino]piperidine-2,6-dione.
What is the SMILES notation for 3-[(4,6-dimethoxypyrimidin-2-yl)amino]piperidine-2,6-dione?
The canonical SMILES for 3-[(4,6-dimethoxypyrimidin-2-yl)amino]piperidine-2,6-dione is COc1cc(OC)nc(NC2CCC(=O)NC2=O)n1.
What is the InChIKey of 3-[(4,6-dimethoxypyrimidin-2-yl)amino]piperidine-2,6-dione?
The InChIKey is RVWVFTIITLFLKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O4/c1-18-8-5-9(19-2)15-11(14-8)12-6-3-4-7(16)13-10(6)17/h5-6H,3-4H2,1-2H3,(H,12,14,15)(H,13,16,17).
What are the key properties of 3-[(4,6-dimethoxypyrimidin-2-yl)amino]piperidine-2,6-dione?
3-[(4,6-dimethoxypyrimidin-2-yl)amino]piperidine-2,6-dione has a molecular weight of 266.26 g/mol, XLogP of -0.29, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4,6-dimethoxypyrimidin-2-yl)amino]piperidine-2,6-dione is sourced from PubChem (CID 115355191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).