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

C12H13N3O4 — CID 121014930

IUPAC2,4-dimethoxy-6-(4-methoxyphenoxy)-1,3,5-triazine
SMILESCOc1ccc(Oc2nc(OC)nc(OC)n2)cc1
InChIInChI=1S/C12H13N3O4/c1-16-8-4-6-9(7-5-8)19-12-14-10(17-2)13-11(15-12)18-3/h4-7H,1-3H3
InChIKeyKQYQLFOENDMYBP-UHFFFAOYSA-N
MW263.25 g/mol
LogP1.69
Rot. Bonds5

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

2,4-dimethoxy-6-(4-methoxyphenoxy)-1,3,5-triazine (PubChem CID 121014930) has the molecular formula C12H13N3O4 and a molecular weight of 263.25 g/mol. Its IUPAC name is 2,4-dimethoxy-6-(4-methoxyphenoxy)-1,3,5-triazine.

Molecular Properties

Compound Name2,4-dimethoxy-6-(4-methoxyphenoxy)-1,3,5-triazine
PubChem CID121014930
Molecular FormulaC12H13N3O4
Molecular Weight263.25 g/mol
Exact Mass263.09
IUPAC Name2,4-dimethoxy-6-(4-methoxyphenoxy)-1,3,5-triazine
SMILESCOc1ccc(Oc2nc(OC)nc(OC)n2)cc1
InChIInChI=1S/C12H13N3O4/c1-16-8-4-6-9(7-5-8)19-12-14-10(17-2)13-11(15-12)18-3/h4-7H,1-3H3
InChIKeyKQYQLFOENDMYBP-UHFFFAOYSA-N
XLogP1.69
TPSA75.59 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.25
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-6-(4-methoxyphenoxy)-1,3,5-triazine?
The IUPAC name of 2,4-dimethoxy-6-(4-methoxyphenoxy)-1,3,5-triazine (CID 121014930) is 2,4-dimethoxy-6-(4-methoxyphenoxy)-1,3,5-triazine.
What is the SMILES notation for 2,4-dimethoxy-6-(4-methoxyphenoxy)-1,3,5-triazine?
The canonical SMILES for 2,4-dimethoxy-6-(4-methoxyphenoxy)-1,3,5-triazine is COc1ccc(Oc2nc(OC)nc(OC)n2)cc1.
What is the InChIKey of 2,4-dimethoxy-6-(4-methoxyphenoxy)-1,3,5-triazine?
The InChIKey is KQYQLFOENDMYBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O4/c1-16-8-4-6-9(7-5-8)19-12-14-10(17-2)13-11(15-12)18-3/h4-7H,1-3H3.
What are the key properties of 2,4-dimethoxy-6-(4-methoxyphenoxy)-1,3,5-triazine?
2,4-dimethoxy-6-(4-methoxyphenoxy)-1,3,5-triazine has a molecular weight of 263.25 g/mol, XLogP of 1.69, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxy-6-(4-methoxyphenoxy)-1,3,5-triazine is sourced from PubChem (CID 121014930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).