5,5-dimethyl-1-(6-methyl-3-pyridinyl)-1,3-diazinane-2,4,6-trione

C12H13N3O3 — CID 112601337

IUPAC5,5-dimethyl-1-(6-methyl-3-pyridinyl)-1,3-diazinane-2,4,6-trione
SMILESCc1ccc(N2C(=O)NC(=O)C(C)(C)C2=O)cn1
InChIInChI=1S/C12H13N3O3/c1-7-4-5-8(6-13-7)15-10(17)12(2,3)9(16)14-11(15)18/h4-6H,1-3H3,(H,14,16,18)
InChIKeyHJAXCHUETFODIT-UHFFFAOYSA-N
MW247.25 g/mol
LogP1.00
Rot. Bonds1

About 5,5-dimethyl-1-(6-methyl-3-pyridinyl)-1,3-diazinane-2,4,6-trione

5,5-dimethyl-1-(6-methyl-3-pyridinyl)-1,3-diazinane-2,4,6-trione (PubChem CID 112601337) has the molecular formula C12H13N3O3 and a molecular weight of 247.25 g/mol. Its IUPAC name is 5,5-dimethyl-1-(6-methyl-3-pyridinyl)-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5,5-dimethyl-1-(6-methyl-3-pyridinyl)-1,3-diazinane-2,4,6-trione
PubChem CID112601337
Molecular FormulaC12H13N3O3
Molecular Weight247.25 g/mol
Exact Mass247.10
IUPAC Name5,5-dimethyl-1-(6-methyl-3-pyridinyl)-1,3-diazinane-2,4,6-trione
SMILESCc1ccc(N2C(=O)NC(=O)C(C)(C)C2=O)cn1
InChIInChI=1S/C12H13N3O3/c1-7-4-5-8(6-13-7)15-10(17)12(2,3)9(16)14-11(15)18/h4-6H,1-3H3,(H,14,16,18)
InChIKeyHJAXCHUETFODIT-UHFFFAOYSA-N
XLogP1.00
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-1-(6-methyl-3-pyridinyl)-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5,5-dimethyl-1-(6-methyl-3-pyridinyl)-1,3-diazinane-2,4,6-trione (CID 112601337) is 5,5-dimethyl-1-(6-methyl-3-pyridinyl)-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5,5-dimethyl-1-(6-methyl-3-pyridinyl)-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5,5-dimethyl-1-(6-methyl-3-pyridinyl)-1,3-diazinane-2,4,6-trione is Cc1ccc(N2C(=O)NC(=O)C(C)(C)C2=O)cn1.
What is the InChIKey of 5,5-dimethyl-1-(6-methyl-3-pyridinyl)-1,3-diazinane-2,4,6-trione?
The InChIKey is HJAXCHUETFODIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3/c1-7-4-5-8(6-13-7)15-10(17)12(2,3)9(16)14-11(15)18/h4-6H,1-3H3,(H,14,16,18).
What are the key properties of 5,5-dimethyl-1-(6-methyl-3-pyridinyl)-1,3-diazinane-2,4,6-trione?
5,5-dimethyl-1-(6-methyl-3-pyridinyl)-1,3-diazinane-2,4,6-trione has a molecular weight of 247.25 g/mol, XLogP of 1.00, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-1-(6-methyl-3-pyridinyl)-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 112601337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).