2,4-dimethyl-6-[3,3,3-trideuterio-2-(trideuteriomethyl)prop-1-enyl]-1,3,5-triazine

C9H13N3 — CID 11041126

IUPAC2,4-dimethyl-6-[3,3,3-trideuterio-2-(trideuteriomethyl)prop-1-enyl]-1,3,5-triazine
SMILES[2H]C([2H])([2H])C(=Cc1nc(C)nc(C)n1)C([2H])([2H])[2H]
InChIInChI=1S/C9H13N3/c1-6(2)5-9-11-7(3)10-8(4)12-9/h5H,1-4H3/i1D3,2D3
InChIKeyUFPFKDZJSNZYKL-WFGJKAKNSA-N
MW169.26 g/mol
LogP1.91
Rot. Bonds3

About 2,4-dimethyl-6-[3,3,3-trideuterio-2-(trideuteriomethyl)prop-1-enyl]-1,3,5-triazine

2,4-dimethyl-6-[3,3,3-trideuterio-2-(trideuteriomethyl)prop-1-enyl]-1,3,5-triazine (PubChem CID 11041126) has the molecular formula C9H13N3 and a molecular weight of 169.26 g/mol. Its IUPAC name is 2,4-dimethyl-6-[3,3,3-trideuterio-2-(trideuteriomethyl)prop-1-enyl]-1,3,5-triazine.

Molecular Properties

Compound Name2,4-dimethyl-6-[3,3,3-trideuterio-2-(trideuteriomethyl)prop-1-enyl]-1,3,5-triazine
PubChem CID11041126
Molecular FormulaC9H13N3
Molecular Weight169.26 g/mol
Exact Mass169.15
IUPAC Name2,4-dimethyl-6-[3,3,3-trideuterio-2-(trideuteriomethyl)prop-1-enyl]-1,3,5-triazine
SMILES[2H]C([2H])([2H])C(=Cc1nc(C)nc(C)n1)C([2H])([2H])[2H]
InChIInChI=1S/C9H13N3/c1-6(2)5-9-11-7(3)10-8(4)12-9/h5H,1-4H3/i1D3,2D3
InChIKeyUFPFKDZJSNZYKL-WFGJKAKNSA-N
XLogP1.91
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.26
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2,4-dimethyl-6-[3,3,3-trideuterio-2-(trideuteriomethyl)prop-1-enyl]-1,3,5-triazine 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 2,4-dimethyl-6-[3,3,3-trideuterio-2-(trideuteriomethyl)prop-1-enyl]-1,3,5-triazine?
The IUPAC name of 2,4-dimethyl-6-[3,3,3-trideuterio-2-(trideuteriomethyl)prop-1-enyl]-1,3,5-triazine (CID 11041126) is 2,4-dimethyl-6-[3,3,3-trideuterio-2-(trideuteriomethyl)prop-1-enyl]-1,3,5-triazine.
What is the SMILES notation for 2,4-dimethyl-6-[3,3,3-trideuterio-2-(trideuteriomethyl)prop-1-enyl]-1,3,5-triazine?
The canonical SMILES for 2,4-dimethyl-6-[3,3,3-trideuterio-2-(trideuteriomethyl)prop-1-enyl]-1,3,5-triazine is [2H]C([2H])([2H])C(=Cc1nc(C)nc(C)n1)C([2H])([2H])[2H].
What is the InChIKey of 2,4-dimethyl-6-[3,3,3-trideuterio-2-(trideuteriomethyl)prop-1-enyl]-1,3,5-triazine?
The InChIKey is UFPFKDZJSNZYKL-WFGJKAKNSA-N. The full InChI is InChI=1S/C9H13N3/c1-6(2)5-9-11-7(3)10-8(4)12-9/h5H,1-4H3/i1D3,2D3.
What are the key properties of 2,4-dimethyl-6-[3,3,3-trideuterio-2-(trideuteriomethyl)prop-1-enyl]-1,3,5-triazine?
2,4-dimethyl-6-[3,3,3-trideuterio-2-(trideuteriomethyl)prop-1-enyl]-1,3,5-triazine has a molecular weight of 169.26 g/mol, XLogP of 1.91, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-6-[3,3,3-trideuterio-2-(trideuteriomethyl)prop-1-enyl]-1,3,5-triazine is sourced from PubChem (CID 11041126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).