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

C13H15BrN4O2 — CID 107287620

IUPAC4-(5-bromo-2-methylphenoxy)-N-ethyl-6-methoxy-1,3,5-triazin-2-amine
SMILESCCNc1nc(OC)nc(Oc2cc(Br)ccc2C)n1
InChIInChI=1S/C13H15BrN4O2/c1-4-15-11-16-12(19-3)18-13(17-11)20-10-7-9(14)6-5-8(10)2/h5-7H,4H2,1-3H3,(H,15,16,17,18)
InChIKeyQWCFOJOPZXUDGP-UHFFFAOYSA-N
MW339.19 g/mol
LogP3.18
Rot. Bonds5

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

4-(5-bromo-2-methylphenoxy)-N-ethyl-6-methoxy-1,3,5-triazin-2-amine (PubChem CID 107287620) has the molecular formula C13H15BrN4O2 and a molecular weight of 339.19 g/mol. Its IUPAC name is 4-(5-bromo-2-methylphenoxy)-N-ethyl-6-methoxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(5-bromo-2-methylphenoxy)-N-ethyl-6-methoxy-1,3,5-triazin-2-amine
PubChem CID107287620
Molecular FormulaC13H15BrN4O2
Molecular Weight339.19 g/mol
Exact Mass338.04
IUPAC Name4-(5-bromo-2-methylphenoxy)-N-ethyl-6-methoxy-1,3,5-triazin-2-amine
SMILESCCNc1nc(OC)nc(Oc2cc(Br)ccc2C)n1
InChIInChI=1S/C13H15BrN4O2/c1-4-15-11-16-12(19-3)18-13(17-11)20-10-7-9(14)6-5-8(10)2/h5-7H,4H2,1-3H3,(H,15,16,17,18)
InChIKeyQWCFOJOPZXUDGP-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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Related Compounds

4-(4-bromo-2-methylphenoxy)-N-ethyl-6-methoxy-1,3,5-triazin-2-amine
CID 80879229
6-(4-bromo-2-methylphenoxy)-4-N-ethyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 80880161
4-(5-chloro-2-methylphenoxy)-6-ethoxy-N-ethyl-1,3,5-triazin-2-amine
CID 80870824
6-(5-bromo-2-fluorophenoxy)-4-N-ethyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 114677283
N-ethyl-4-methoxy-6-[(2-methyl-3-pyridinyl)oxy]-1,3,5-triazin-2-amine
CID 80882368
4-(5-bromo-2-methylphenoxy)-N-ethylthieno[2,3-d]pyrimidin-2-amine
CID 107287415
4-(4-chloro-3,5-dimethylphenoxy)-N-ethyl-6-methoxy-1,3,5-triazin-2-amine
CID 80875034
4-N-ethyl-6-(5-fluoro-2-methylphenoxy)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 102989134
4-(3,4-dimethylphenyl)sulfanyl-N-ethyl-6-methoxy-1,3,5-triazin-2-amine
CID 80893106
4-(4-bromo-2-methylphenoxy)-N-ethyl-6-methylpyrimidin-2-amine
CID 80879089
4-(3-bromo-4-fluorophenoxy)-6-methoxy-N-propyl-1,3,5-triazin-2-amine
CID 83232385
5-bromo-2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]aniline
CID 65431100

Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-2-methylphenoxy)-N-ethyl-6-methoxy-1,3,5-triazin-2-amine?
The IUPAC name of 4-(5-bromo-2-methylphenoxy)-N-ethyl-6-methoxy-1,3,5-triazin-2-amine (CID 107287620) is 4-(5-bromo-2-methylphenoxy)-N-ethyl-6-methoxy-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(5-bromo-2-methylphenoxy)-N-ethyl-6-methoxy-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(5-bromo-2-methylphenoxy)-N-ethyl-6-methoxy-1,3,5-triazin-2-amine is CCNc1nc(OC)nc(Oc2cc(Br)ccc2C)n1.
What is the InChIKey of 4-(5-bromo-2-methylphenoxy)-N-ethyl-6-methoxy-1,3,5-triazin-2-amine?
The InChIKey is QWCFOJOPZXUDGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN4O2/c1-4-15-11-16-12(19-3)18-13(17-11)20-10-7-9(14)6-5-8(10)2/h5-7H,4H2,1-3H3,(H,15,16,17,18).
What are the key properties of 4-(5-bromo-2-methylphenoxy)-N-ethyl-6-methoxy-1,3,5-triazin-2-amine?
4-(5-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-(5-bromo-2-methylphenoxy)-N-ethyl-6-methoxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 107287620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).