4-(2-bromo-4-methoxyphenoxy)-6-ethoxy-1,3,5-triazin-2-amine

C12H13BrN4O3 — CID 104708820

IUPAC4-(2-bromo-4-methoxyphenoxy)-6-ethoxy-1,3,5-triazin-2-amine
SMILESCCOc1nc(N)nc(Oc2ccc(OC)cc2Br)n1
InChIInChI=1S/C12H13BrN4O3/c1-3-19-11-15-10(14)16-12(17-11)20-9-5-4-7(18-2)6-8(9)13/h4-6H,3H2,1-2H3,(H2,14,15,16,17)
InChIKeyKYRDUHRILCUPIL-UHFFFAOYSA-N
MW341.17 g/mol
LogP2.42
Rot. Bonds5

About 4-(2-bromo-4-methoxyphenoxy)-6-ethoxy-1,3,5-triazin-2-amine

4-(2-bromo-4-methoxyphenoxy)-6-ethoxy-1,3,5-triazin-2-amine (PubChem CID 104708820) has the molecular formula C12H13BrN4O3 and a molecular weight of 341.17 g/mol. Its IUPAC name is 4-(2-bromo-4-methoxyphenoxy)-6-ethoxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(2-bromo-4-methoxyphenoxy)-6-ethoxy-1,3,5-triazin-2-amine
PubChem CID104708820
Molecular FormulaC12H13BrN4O3
Molecular Weight341.17 g/mol
Exact Mass340.02
IUPAC Name4-(2-bromo-4-methoxyphenoxy)-6-ethoxy-1,3,5-triazin-2-amine
SMILESCCOc1nc(N)nc(Oc2ccc(OC)cc2Br)n1
InChIInChI=1S/C12H13BrN4O3/c1-3-19-11-15-10(14)16-12(17-11)20-9-5-4-7(18-2)6-8(9)13/h4-6H,3H2,1-2H3,(H2,14,15,16,17)
InChIKeyKYRDUHRILCUPIL-UHFFFAOYSA-N
XLogP2.42
TPSA92.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.17
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-ethoxy-6-(4-methoxyphenoxy)-1,3,5-triazin-2-amine
CID 80870272
6-(2-bromo-4-methoxyphenoxy)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 104708770
2-(2-bromo-4-methoxyphenoxy)pyrimidin-4-amine
CID 116798025
4-(4-bromo-2,5-dichlorophenoxy)-6-ethoxy-1,3,5-triazin-2-amine
CID 107662596
4-(3-bromophenoxy)-6-ethoxy-1,3,5-triazin-2-amine
CID 80869998
[4-(2-bromo-4-methoxyphenoxy)-6-methoxy-1,3,5-triazin-2-yl]hydrazine
CID 104708873
4-(4-chlorophenoxy)-6-ethoxy-1,3,5-triazin-2-amine
CID 80863734
4-ethoxy-6-(4-methylphenoxy)-1,3,5-triazin-2-amine
CID 80863450
4-ethoxy-6-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-1,3,5-triazin-2-amine
CID 103176391
2-(2-bromo-4-methoxyphenoxy)-4-methylpyrimidine
CID 104707648
4-(2-bromo-4-ethoxyphenoxy)aniline
CID 22688226
4-ethoxy-6-(4-methylsulfanylphenoxy)-1,3,5-triazin-2-amine
CID 80879656

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromo-4-methoxyphenoxy)-6-ethoxy-1,3,5-triazin-2-amine?
The IUPAC name of 4-(2-bromo-4-methoxyphenoxy)-6-ethoxy-1,3,5-triazin-2-amine (CID 104708820) is 4-(2-bromo-4-methoxyphenoxy)-6-ethoxy-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(2-bromo-4-methoxyphenoxy)-6-ethoxy-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(2-bromo-4-methoxyphenoxy)-6-ethoxy-1,3,5-triazin-2-amine is CCOc1nc(N)nc(Oc2ccc(OC)cc2Br)n1.
What is the InChIKey of 4-(2-bromo-4-methoxyphenoxy)-6-ethoxy-1,3,5-triazin-2-amine?
The InChIKey is KYRDUHRILCUPIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN4O3/c1-3-19-11-15-10(14)16-12(17-11)20-9-5-4-7(18-2)6-8(9)13/h4-6H,3H2,1-2H3,(H2,14,15,16,17).
What are the key properties of 4-(2-bromo-4-methoxyphenoxy)-6-ethoxy-1,3,5-triazin-2-amine?
4-(2-bromo-4-methoxyphenoxy)-6-ethoxy-1,3,5-triazin-2-amine has a molecular weight of 341.17 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromo-4-methoxyphenoxy)-6-ethoxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 104708820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).