2,4-dimethoxy-6-thiophen-2-yl-1,3,5-triazine

C9H9N3O2S — CID 11458737

IUPAC2,4-dimethoxy-6-thiophen-2-yl-1,3,5-triazine
SMILESCOc1nc(OC)nc(-c2cccs2)n1
InChIInChI=1S/C9H9N3O2S/c1-13-8-10-7(6-4-3-5-15-6)11-9(12-8)14-2/h3-5H,1-2H3
InChIKeyPLYBGPSYQWPWGB-UHFFFAOYSA-N
MW223.26 g/mol
LogP1.62
Rot. Bonds3

About 2,4-dimethoxy-6-thiophen-2-yl-1,3,5-triazine

2,4-dimethoxy-6-thiophen-2-yl-1,3,5-triazine (PubChem CID 11458737) has the molecular formula C9H9N3O2S and a molecular weight of 223.26 g/mol. Its IUPAC name is 2,4-dimethoxy-6-thiophen-2-yl-1,3,5-triazine.

Molecular Properties

Compound Name2,4-dimethoxy-6-thiophen-2-yl-1,3,5-triazine
PubChem CID11458737
Molecular FormulaC9H9N3O2S
Molecular Weight223.26 g/mol
Exact Mass223.04
IUPAC Name2,4-dimethoxy-6-thiophen-2-yl-1,3,5-triazine
SMILESCOc1nc(OC)nc(-c2cccs2)n1
InChIInChI=1S/C9H9N3O2S/c1-13-8-10-7(6-4-3-5-15-6)11-9(12-8)14-2/h3-5H,1-2H3
InChIKeyPLYBGPSYQWPWGB-UHFFFAOYSA-N
XLogP1.62
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.26
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-6-thiophen-2-yl-1,3,5-triazine?
The IUPAC name of 2,4-dimethoxy-6-thiophen-2-yl-1,3,5-triazine (CID 11458737) is 2,4-dimethoxy-6-thiophen-2-yl-1,3,5-triazine.
What is the SMILES notation for 2,4-dimethoxy-6-thiophen-2-yl-1,3,5-triazine?
The canonical SMILES for 2,4-dimethoxy-6-thiophen-2-yl-1,3,5-triazine is COc1nc(OC)nc(-c2cccs2)n1.
What is the InChIKey of 2,4-dimethoxy-6-thiophen-2-yl-1,3,5-triazine?
The InChIKey is PLYBGPSYQWPWGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O2S/c1-13-8-10-7(6-4-3-5-15-6)11-9(12-8)14-2/h3-5H,1-2H3.
What are the key properties of 2,4-dimethoxy-6-thiophen-2-yl-1,3,5-triazine?
2,4-dimethoxy-6-thiophen-2-yl-1,3,5-triazine has a molecular weight of 223.26 g/mol, XLogP of 1.62, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxy-6-thiophen-2-yl-1,3,5-triazine is sourced from PubChem (CID 11458737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).