4-(4-bromo-2-methylphenoxy)-N-ethyl-6-methoxy-1,3,5-triazin-2-amine

C13H15BrN4O2 — CID 80879229

IUPAC4-(4-bromo-2-methylphenoxy)-N-ethyl-6-methoxy-1,3,5-triazin-2-amine
SMILESCCNc1nc(OC)nc(Oc2ccc(Br)cc2C)n1
InChIInChI=1S/C13H15BrN4O2/c1-4-15-11-16-12(19-3)18-13(17-11)20-10-6-5-9(14)7-8(10)2/h5-7H,4H2,1-3H3,(H,15,16,17,18)
InChIKeyXSJOCJVHYWROQC-UHFFFAOYSA-N
MW339.19 g/mol
LogP3.18
Rot. Bonds5

About 4-(4-bromo-2-methylphenoxy)-N-ethyl-6-methoxy-1,3,5-triazin-2-amine

4-(4-bromo-2-methylphenoxy)-N-ethyl-6-methoxy-1,3,5-triazin-2-amine (PubChem CID 80879229) has the molecular formula C13H15BrN4O2 and a molecular weight of 339.19 g/mol. Its IUPAC name is 4-(4-bromo-2-methylphenoxy)-N-ethyl-6-methoxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(4-bromo-2-methylphenoxy)-N-ethyl-6-methoxy-1,3,5-triazin-2-amine
PubChem CID80879229
Molecular FormulaC13H15BrN4O2
Molecular Weight339.19 g/mol
Exact Mass338.04
IUPAC Name4-(4-bromo-2-methylphenoxy)-N-ethyl-6-methoxy-1,3,5-triazin-2-amine
SMILESCCNc1nc(OC)nc(Oc2ccc(Br)cc2C)n1
InChIInChI=1S/C13H15BrN4O2/c1-4-15-11-16-12(19-3)18-13(17-11)20-10-6-5-9(14)7-8(10)2/h5-7H,4H2,1-3H3,(H,15,16,17,18)
InChIKeyXSJOCJVHYWROQC-UHFFFAOYSA-N
XLogP3.18
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.19
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-2-methylphenoxy)-N-ethyl-6-methoxy-1,3,5-triazin-2-amine?
The IUPAC name of 4-(4-bromo-2-methylphenoxy)-N-ethyl-6-methoxy-1,3,5-triazin-2-amine (CID 80879229) is 4-(4-bromo-2-methylphenoxy)-N-ethyl-6-methoxy-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(4-bromo-2-methylphenoxy)-N-ethyl-6-methoxy-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(4-bromo-2-methylphenoxy)-N-ethyl-6-methoxy-1,3,5-triazin-2-amine is CCNc1nc(OC)nc(Oc2ccc(Br)cc2C)n1.
What is the InChIKey of 4-(4-bromo-2-methylphenoxy)-N-ethyl-6-methoxy-1,3,5-triazin-2-amine?
The InChIKey is XSJOCJVHYWROQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN4O2/c1-4-15-11-16-12(19-3)18-13(17-11)20-10-6-5-9(14)7-8(10)2/h5-7H,4H2,1-3H3,(H,15,16,17,18).
What are the key properties of 4-(4-bromo-2-methylphenoxy)-N-ethyl-6-methoxy-1,3,5-triazin-2-amine?
4-(4-bromo-2-methylphenoxy)-N-ethyl-6-methoxy-1,3,5-triazin-2-amine has a molecular weight of 339.19 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-2-methylphenoxy)-N-ethyl-6-methoxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 80879229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).