N-(2-bromo-5-chlorophenyl)-4-chloro-6-ethoxy-1,3,5-triazin-2-amine

C11H9BrCl2N4O — CID 81275542

IUPACN-(2-bromo-5-chlorophenyl)-4-chloro-6-ethoxy-1,3,5-triazin-2-amine
SMILESCCOc1nc(Cl)nc(Nc2cc(Cl)ccc2Br)n1
InChIInChI=1S/C11H9BrCl2N4O/c1-2-19-11-17-9(14)16-10(18-11)15-8-5-6(13)3-4-7(8)12/h3-5H,2H2,1H3,(H,15,16,17,18)
InChIKeyCOSPLYUCZGYZPL-UHFFFAOYSA-N
MW364.03 g/mol
LogP4.08
Rot. Bonds4

About N-(2-bromo-5-chlorophenyl)-4-chloro-6-ethoxy-1,3,5-triazin-2-amine

N-(2-bromo-5-chlorophenyl)-4-chloro-6-ethoxy-1,3,5-triazin-2-amine (PubChem CID 81275542) has the molecular formula C11H9BrCl2N4O and a molecular weight of 364.03 g/mol. Its IUPAC name is N-(2-bromo-5-chlorophenyl)-4-chloro-6-ethoxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-(2-bromo-5-chlorophenyl)-4-chloro-6-ethoxy-1,3,5-triazin-2-amine
PubChem CID81275542
Molecular FormulaC11H9BrCl2N4O
Molecular Weight364.03 g/mol
Exact Mass361.93
IUPAC NameN-(2-bromo-5-chlorophenyl)-4-chloro-6-ethoxy-1,3,5-triazin-2-amine
SMILESCCOc1nc(Cl)nc(Nc2cc(Cl)ccc2Br)n1
InChIInChI=1S/C11H9BrCl2N4O/c1-2-19-11-17-9(14)16-10(18-11)15-8-5-6(13)3-4-7(8)12/h3-5H,2H2,1H3,(H,15,16,17,18)
InChIKeyCOSPLYUCZGYZPL-UHFFFAOYSA-N
XLogP4.08
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.03
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-(2-bromo-5-chlorophenyl)-6-chloro-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 81271667
2-N-(2-bromo-5-chlorophenyl)-6-chloro-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 81272305
N-(5-bromo-2-methoxyphenyl)-4-chloro-6-ethoxy-1,3,5-triazin-2-amine
CID 62858053
4-chloro-6-ethoxy-N-(2-fluorophenyl)-1,3,5-triazin-2-amine
CID 62858365
2-N-(2,5-dichlorophenyl)-6-ethoxy-4-N-ethyl-1,3,5-triazine-2,4-diamine
CID 80768130
2-N-(2-bromo-5-chlorophenyl)-6-methoxy-1,3,5-triazine-2,4-diamine
CID 81272535
2-N-(5-chloro-2-methylphenyl)-6-ethoxy-4-N-ethyl-1,3,5-triazine-2,4-diamine
CID 80728885
N-(5-bromo-2-fluorophenyl)-4-chloro-6-propoxy-1,3,5-triazin-2-amine
CID 63548891
4-chloro-6-ethoxy-N-(3-methylphenyl)-1,3,5-triazin-2-amine
CID 62858032
N-(4-bromo-2,5-difluorophenyl)-4-chloro-6-propoxy-1,3,5-triazin-2-amine
CID 107614894
4-chloro-6-ethoxy-N-(4-methylphenyl)-1,3,5-triazin-2-amine
CID 62859043
4-chloro-N-(3,4-dimethylphenyl)-6-ethoxy-1,3,5-triazin-2-amine
CID 55124692

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-chlorophenyl)-4-chloro-6-ethoxy-1,3,5-triazin-2-amine?
The IUPAC name of N-(2-bromo-5-chlorophenyl)-4-chloro-6-ethoxy-1,3,5-triazin-2-amine (CID 81275542) is N-(2-bromo-5-chlorophenyl)-4-chloro-6-ethoxy-1,3,5-triazin-2-amine.
What is the SMILES notation for N-(2-bromo-5-chlorophenyl)-4-chloro-6-ethoxy-1,3,5-triazin-2-amine?
The canonical SMILES for N-(2-bromo-5-chlorophenyl)-4-chloro-6-ethoxy-1,3,5-triazin-2-amine is CCOc1nc(Cl)nc(Nc2cc(Cl)ccc2Br)n1.
What is the InChIKey of N-(2-bromo-5-chlorophenyl)-4-chloro-6-ethoxy-1,3,5-triazin-2-amine?
The InChIKey is COSPLYUCZGYZPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrCl2N4O/c1-2-19-11-17-9(14)16-10(18-11)15-8-5-6(13)3-4-7(8)12/h3-5H,2H2,1H3,(H,15,16,17,18).
What are the key properties of N-(2-bromo-5-chlorophenyl)-4-chloro-6-ethoxy-1,3,5-triazin-2-amine?
N-(2-bromo-5-chlorophenyl)-4-chloro-6-ethoxy-1,3,5-triazin-2-amine has a molecular weight of 364.03 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-5-chlorophenyl)-4-chloro-6-ethoxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 81275542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).