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

C13H15N3O3 — CID 164725212

IUPAC2-ethyl-4-methoxy-6-(4-methoxyphenoxy)-1,3,5-triazine
SMILESCCc1nc(OC)nc(Oc2ccc(OC)cc2)n1
InChIInChI=1S/C13H15N3O3/c1-4-11-14-12(18-3)16-13(15-11)19-10-7-5-9(17-2)6-8-10/h5-8H,4H2,1-3H3
InChIKeyVVCNFKVNKOSYMU-UHFFFAOYSA-N
MW261.28 g/mol
LogP2.24
Rot. Bonds5

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

2-ethyl-4-methoxy-6-(4-methoxyphenoxy)-1,3,5-triazine (PubChem CID 164725212) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is 2-ethyl-4-methoxy-6-(4-methoxyphenoxy)-1,3,5-triazine.

Molecular Properties

Compound Name2-ethyl-4-methoxy-6-(4-methoxyphenoxy)-1,3,5-triazine
PubChem CID164725212
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC Name2-ethyl-4-methoxy-6-(4-methoxyphenoxy)-1,3,5-triazine
SMILESCCc1nc(OC)nc(Oc2ccc(OC)cc2)n1
InChIInChI=1S/C13H15N3O3/c1-4-11-14-12(18-3)16-13(15-11)19-10-7-5-9(17-2)6-8-10/h5-8H,4H2,1-3H3
InChIKeyVVCNFKVNKOSYMU-UHFFFAOYSA-N
XLogP2.24
TPSA66.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-methoxy-6-(4-methoxyphenoxy)-1,3,5-triazine?
The IUPAC name of 2-ethyl-4-methoxy-6-(4-methoxyphenoxy)-1,3,5-triazine (CID 164725212) is 2-ethyl-4-methoxy-6-(4-methoxyphenoxy)-1,3,5-triazine.
What is the SMILES notation for 2-ethyl-4-methoxy-6-(4-methoxyphenoxy)-1,3,5-triazine?
The canonical SMILES for 2-ethyl-4-methoxy-6-(4-methoxyphenoxy)-1,3,5-triazine is CCc1nc(OC)nc(Oc2ccc(OC)cc2)n1.
What is the InChIKey of 2-ethyl-4-methoxy-6-(4-methoxyphenoxy)-1,3,5-triazine?
The InChIKey is VVCNFKVNKOSYMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c1-4-11-14-12(18-3)16-13(15-11)19-10-7-5-9(17-2)6-8-10/h5-8H,4H2,1-3H3.
What are the key properties of 2-ethyl-4-methoxy-6-(4-methoxyphenoxy)-1,3,5-triazine?
2-ethyl-4-methoxy-6-(4-methoxyphenoxy)-1,3,5-triazine has a molecular weight of 261.28 g/mol, XLogP of 2.24, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-methoxy-6-(4-methoxyphenoxy)-1,3,5-triazine is sourced from PubChem (CID 164725212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).