2,4-dimethoxy-6-(methylsulfanylmethyl)-1,3,5-triazine

C7H11N3O2S — CID 10998052

IUPAC2,4-dimethoxy-6-(methylsulfanylmethyl)-1,3,5-triazine
SMILESCOc1nc(CSC)nc(OC)n1
InChIInChI=1S/C7H11N3O2S/c1-11-6-8-5(4-13-3)9-7(10-6)12-2/h4H2,1-3H3
InChIKeyDUJDDPACZBCYNC-UHFFFAOYSA-N
MW201.25 g/mol
LogP0.75
Rot. Bonds4

About 2,4-dimethoxy-6-(methylsulfanylmethyl)-1,3,5-triazine

2,4-dimethoxy-6-(methylsulfanylmethyl)-1,3,5-triazine (PubChem CID 10998052) has the molecular formula C7H11N3O2S and a molecular weight of 201.25 g/mol. Its IUPAC name is 2,4-dimethoxy-6-(methylsulfanylmethyl)-1,3,5-triazine.

Molecular Properties

Compound Name2,4-dimethoxy-6-(methylsulfanylmethyl)-1,3,5-triazine
PubChem CID10998052
Molecular FormulaC7H11N3O2S
Molecular Weight201.25 g/mol
Exact Mass201.06
IUPAC Name2,4-dimethoxy-6-(methylsulfanylmethyl)-1,3,5-triazine
SMILESCOc1nc(CSC)nc(OC)n1
InChIInChI=1S/C7H11N3O2S/c1-11-6-8-5(4-13-3)9-7(10-6)12-2/h4H2,1-3H3
InChIKeyDUJDDPACZBCYNC-UHFFFAOYSA-N
XLogP0.75
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.25
LogP ≤ 50.75
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-(methylsulfanylmethyl)-1,3,5-triazine?
The IUPAC name of 2,4-dimethoxy-6-(methylsulfanylmethyl)-1,3,5-triazine (CID 10998052) is 2,4-dimethoxy-6-(methylsulfanylmethyl)-1,3,5-triazine.
What is the SMILES notation for 2,4-dimethoxy-6-(methylsulfanylmethyl)-1,3,5-triazine?
The canonical SMILES for 2,4-dimethoxy-6-(methylsulfanylmethyl)-1,3,5-triazine is COc1nc(CSC)nc(OC)n1.
What is the InChIKey of 2,4-dimethoxy-6-(methylsulfanylmethyl)-1,3,5-triazine?
The InChIKey is DUJDDPACZBCYNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2S/c1-11-6-8-5(4-13-3)9-7(10-6)12-2/h4H2,1-3H3.
What are the key properties of 2,4-dimethoxy-6-(methylsulfanylmethyl)-1,3,5-triazine?
2,4-dimethoxy-6-(methylsulfanylmethyl)-1,3,5-triazine has a molecular weight of 201.25 g/mol, XLogP of 0.75, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxy-6-(methylsulfanylmethyl)-1,3,5-triazine is sourced from PubChem (CID 10998052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).