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

C11H9BrCl2N4O2 — CID 107662596

IUPAC4-(4-bromo-2,5-dichlorophenoxy)-6-ethoxy-1,3,5-triazin-2-amine
SMILESCCOc1nc(N)nc(Oc2cc(Cl)c(Br)cc2Cl)n1
InChIInChI=1S/C11H9BrCl2N4O2/c1-2-19-10-16-9(15)17-11(18-10)20-8-4-6(13)5(12)3-7(8)14/h3-4H,2H2,1H3,(H2,15,16,17,18)
InChIKeyQSADQQJCWVHHJO-UHFFFAOYSA-N
MW380.03 g/mol
LogP3.71
Rot. Bonds4

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

4-(4-bromo-2,5-dichlorophenoxy)-6-ethoxy-1,3,5-triazin-2-amine (PubChem CID 107662596) has the molecular formula C11H9BrCl2N4O2 and a molecular weight of 380.03 g/mol. Its IUPAC name is 4-(4-bromo-2,5-dichlorophenoxy)-6-ethoxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(4-bromo-2,5-dichlorophenoxy)-6-ethoxy-1,3,5-triazin-2-amine
PubChem CID107662596
Molecular FormulaC11H9BrCl2N4O2
Molecular Weight380.03 g/mol
Exact Mass377.93
IUPAC Name4-(4-bromo-2,5-dichlorophenoxy)-6-ethoxy-1,3,5-triazin-2-amine
SMILESCCOc1nc(N)nc(Oc2cc(Cl)c(Br)cc2Cl)n1
InChIInChI=1S/C11H9BrCl2N4O2/c1-2-19-10-16-9(15)17-11(18-10)20-8-4-6(13)5(12)3-7(8)14/h3-4H,2H2,1H3,(H2,15,16,17,18)
InChIKeyQSADQQJCWVHHJO-UHFFFAOYSA-N
XLogP3.71
TPSA83.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.03
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

4-(2-bromo-4-methoxyphenoxy)-6-ethoxy-1,3,5-triazin-2-amine
CID 104708820
4-(4-chlorophenoxy)-6-ethoxy-1,3,5-triazin-2-amine
CID 80863734
4-(3-bromophenoxy)-6-ethoxy-1,3,5-triazin-2-amine
CID 80869998
4-(4-bromo-2,5-dichlorophenoxy)-5-fluoropyrimidin-2-amine
CID 107662603
4-ethoxy-6-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-1,3,5-triazin-2-amine
CID 103176391
4-ethoxy-6-(4-methoxyphenoxy)-1,3,5-triazin-2-amine
CID 80870272
[2-(4-bromo-2,5-dichlorophenoxy)-4-methylpyrimidin-5-yl]methanol
CID 107660009
N-[[2-(4-bromo-2,5-dichlorophenoxy)-4-methylpyrimidin-5-yl]methyl]ethanamine
CID 107660821
4-ethoxy-6-(4-methylphenoxy)-1,3,5-triazin-2-amine
CID 80863450
4-(2-butan-2-ylphenoxy)-6-ethoxy-1,3,5-triazin-2-amine
CID 80874080
2-N-(5-bromo-2-chlorophenyl)-6-ethoxy-1,3,5-triazine-2,4-diamine
CID 80825083
2-(4-bromo-2-propan-2-ylphenoxy)-4-chloro-6-ethoxy-1,3,5-triazine
CID 115401784

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-2,5-dichlorophenoxy)-6-ethoxy-1,3,5-triazin-2-amine?
The IUPAC name of 4-(4-bromo-2,5-dichlorophenoxy)-6-ethoxy-1,3,5-triazin-2-amine (CID 107662596) is 4-(4-bromo-2,5-dichlorophenoxy)-6-ethoxy-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(4-bromo-2,5-dichlorophenoxy)-6-ethoxy-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(4-bromo-2,5-dichlorophenoxy)-6-ethoxy-1,3,5-triazin-2-amine is CCOc1nc(N)nc(Oc2cc(Cl)c(Br)cc2Cl)n1.
What is the InChIKey of 4-(4-bromo-2,5-dichlorophenoxy)-6-ethoxy-1,3,5-triazin-2-amine?
The InChIKey is QSADQQJCWVHHJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrCl2N4O2/c1-2-19-10-16-9(15)17-11(18-10)20-8-4-6(13)5(12)3-7(8)14/h3-4H,2H2,1H3,(H2,15,16,17,18).
What are the key properties of 4-(4-bromo-2,5-dichlorophenoxy)-6-ethoxy-1,3,5-triazin-2-amine?
4-(4-bromo-2,5-dichlorophenoxy)-6-ethoxy-1,3,5-triazin-2-amine has a molecular weight of 380.03 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-2,5-dichlorophenoxy)-6-ethoxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 107662596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).