3-methyl-3-pyrimidin-4-ylpiperidine-2,6-dione

C10H11N3O2 — CID 138460787

IUPAC3-methyl-3-pyrimidin-4-ylpiperidine-2,6-dione
SMILESCC1(c2ccncn2)CCC(=O)NC1=O
InChIInChI=1S/C10H11N3O2/c1-10(7-3-5-11-6-12-7)4-2-8(14)13-9(10)15/h3,5-6H,2,4H2,1H3,(H,13,14,15)
InChIKeyUYEZAEKWRWTAQM-UHFFFAOYSA-N
MW205.22 g/mol
LogP0.17
Rot. Bonds1

About 3-methyl-3-pyrimidin-4-ylpiperidine-2,6-dione

3-methyl-3-pyrimidin-4-ylpiperidine-2,6-dione (PubChem CID 138460787) has the molecular formula C10H11N3O2 and a molecular weight of 205.22 g/mol. Its IUPAC name is 3-methyl-3-pyrimidin-4-ylpiperidine-2,6-dione.

Molecular Properties

Compound Name3-methyl-3-pyrimidin-4-ylpiperidine-2,6-dione
PubChem CID138460787
Molecular FormulaC10H11N3O2
Molecular Weight205.22 g/mol
Exact Mass205.09
IUPAC Name3-methyl-3-pyrimidin-4-ylpiperidine-2,6-dione
SMILESCC1(c2ccncn2)CCC(=O)NC1=O
InChIInChI=1S/C10H11N3O2/c1-10(7-3-5-11-6-12-7)4-2-8(14)13-9(10)15/h3,5-6H,2,4H2,1H3,(H,13,14,15)
InChIKeyUYEZAEKWRWTAQM-UHFFFAOYSA-N
XLogP0.17
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-methyl-3-pyrimidin-4-ylpiperidine-2,6-dione?
The IUPAC name of 3-methyl-3-pyrimidin-4-ylpiperidine-2,6-dione (CID 138460787) is 3-methyl-3-pyrimidin-4-ylpiperidine-2,6-dione.
What is the SMILES notation for 3-methyl-3-pyrimidin-4-ylpiperidine-2,6-dione?
The canonical SMILES for 3-methyl-3-pyrimidin-4-ylpiperidine-2,6-dione is CC1(c2ccncn2)CCC(=O)NC1=O.
What is the InChIKey of 3-methyl-3-pyrimidin-4-ylpiperidine-2,6-dione?
The InChIKey is UYEZAEKWRWTAQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2/c1-10(7-3-5-11-6-12-7)4-2-8(14)13-9(10)15/h3,5-6H,2,4H2,1H3,(H,13,14,15).
What are the key properties of 3-methyl-3-pyrimidin-4-ylpiperidine-2,6-dione?
3-methyl-3-pyrimidin-4-ylpiperidine-2,6-dione has a molecular weight of 205.22 g/mol, XLogP of 0.17, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-pyrimidin-4-ylpiperidine-2,6-dione is sourced from PubChem (CID 138460787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).