3-methyl-1-[(6-methyl-2-pyridinyl)methyl]-1,3-diazinane-2,4-dione

C12H15N3O2 — CID 67564699

IUPAC3-methyl-1-[(6-methyl-2-pyridinyl)methyl]-1,3-diazinane-2,4-dione
SMILESCc1cccc(CN2CCC(=O)N(C)C2=O)n1
InChIInChI=1S/C12H15N3O2/c1-9-4-3-5-10(13-9)8-15-7-6-11(16)14(2)12(15)17/h3-5H,6-8H2,1-2H3
InChIKeyBQPOQDMXXDDGII-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.17
Rot. Bonds2

About 3-methyl-1-[(6-methyl-2-pyridinyl)methyl]-1,3-diazinane-2,4-dione

3-methyl-1-[(6-methyl-2-pyridinyl)methyl]-1,3-diazinane-2,4-dione (PubChem CID 67564699) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 3-methyl-1-[(6-methyl-2-pyridinyl)methyl]-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name3-methyl-1-[(6-methyl-2-pyridinyl)methyl]-1,3-diazinane-2,4-dione
PubChem CID67564699
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name3-methyl-1-[(6-methyl-2-pyridinyl)methyl]-1,3-diazinane-2,4-dione
SMILESCc1cccc(CN2CCC(=O)N(C)C2=O)n1
InChIInChI=1S/C12H15N3O2/c1-9-4-3-5-10(13-9)8-15-7-6-11(16)14(2)12(15)17/h3-5H,6-8H2,1-2H3
InChIKeyBQPOQDMXXDDGII-UHFFFAOYSA-N
XLogP1.17
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-methyl-1-[(6-methyl-2-pyridinyl)methyl]-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 3-methyl-1-[(6-methyl-2-pyridinyl)methyl]-1,3-diazinane-2,4-dione?
The IUPAC name of 3-methyl-1-[(6-methyl-2-pyridinyl)methyl]-1,3-diazinane-2,4-dione (CID 67564699) is 3-methyl-1-[(6-methyl-2-pyridinyl)methyl]-1,3-diazinane-2,4-dione.
What is the SMILES notation for 3-methyl-1-[(6-methyl-2-pyridinyl)methyl]-1,3-diazinane-2,4-dione?
The canonical SMILES for 3-methyl-1-[(6-methyl-2-pyridinyl)methyl]-1,3-diazinane-2,4-dione is Cc1cccc(CN2CCC(=O)N(C)C2=O)n1.
What is the InChIKey of 3-methyl-1-[(6-methyl-2-pyridinyl)methyl]-1,3-diazinane-2,4-dione?
The InChIKey is BQPOQDMXXDDGII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-9-4-3-5-10(13-9)8-15-7-6-11(16)14(2)12(15)17/h3-5H,6-8H2,1-2H3.
What are the key properties of 3-methyl-1-[(6-methyl-2-pyridinyl)methyl]-1,3-diazinane-2,4-dione?
3-methyl-1-[(6-methyl-2-pyridinyl)methyl]-1,3-diazinane-2,4-dione has a molecular weight of 233.27 g/mol, XLogP of 1.17, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[(6-methyl-2-pyridinyl)methyl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 67564699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).