1-methyl-3-(5-methyl-2-pyridinyl)-1,3-diazinane-2,4-dione

C11H13N3O2 — CID 155312445

IUPAC1-methyl-3-(5-methyl-2-pyridinyl)-1,3-diazinane-2,4-dione
SMILESCc1ccc(N2C(=O)CCN(C)C2=O)nc1
InChIInChI=1S/C11H13N3O2/c1-8-3-4-9(12-7-8)14-10(15)5-6-13(2)11(14)16/h3-4,7H,5-6H2,1-2H3
InChIKeyOQMPJFOQGKMSLZ-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.18
Rot. Bonds1

About 1-methyl-3-(5-methyl-2-pyridinyl)-1,3-diazinane-2,4-dione

1-methyl-3-(5-methyl-2-pyridinyl)-1,3-diazinane-2,4-dione (PubChem CID 155312445) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is 1-methyl-3-(5-methyl-2-pyridinyl)-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-methyl-3-(5-methyl-2-pyridinyl)-1,3-diazinane-2,4-dione
PubChem CID155312445
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name1-methyl-3-(5-methyl-2-pyridinyl)-1,3-diazinane-2,4-dione
SMILESCc1ccc(N2C(=O)CCN(C)C2=O)nc1
InChIInChI=1S/C11H13N3O2/c1-8-3-4-9(12-7-8)14-10(15)5-6-13(2)11(14)16/h3-4,7H,5-6H2,1-2H3
InChIKeyOQMPJFOQGKMSLZ-UHFFFAOYSA-N
XLogP1.18
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-methyl-3-(5-methyl-2-pyridinyl)-1,3-diazinane-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(5-methyl-2-pyridinyl)-1,3-diazinane-2,4-dione?
The IUPAC name of 1-methyl-3-(5-methyl-2-pyridinyl)-1,3-diazinane-2,4-dione (CID 155312445) is 1-methyl-3-(5-methyl-2-pyridinyl)-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-methyl-3-(5-methyl-2-pyridinyl)-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-methyl-3-(5-methyl-2-pyridinyl)-1,3-diazinane-2,4-dione is Cc1ccc(N2C(=O)CCN(C)C2=O)nc1.
What is the InChIKey of 1-methyl-3-(5-methyl-2-pyridinyl)-1,3-diazinane-2,4-dione?
The InChIKey is OQMPJFOQGKMSLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-8-3-4-9(12-7-8)14-10(15)5-6-13(2)11(14)16/h3-4,7H,5-6H2,1-2H3.
What are the key properties of 1-methyl-3-(5-methyl-2-pyridinyl)-1,3-diazinane-2,4-dione?
1-methyl-3-(5-methyl-2-pyridinyl)-1,3-diazinane-2,4-dione has a molecular weight of 219.24 g/mol, XLogP of 1.18, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(5-methyl-2-pyridinyl)-1,3-diazinane-2,4-dione is sourced from PubChem (CID 155312445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).