6-(4-bromo-2-chlorophenoxy)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine

C11H11BrClN5O — CID 80882074

IUPAC6-(4-bromo-2-chlorophenoxy)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCN(C)c1nc(N)nc(Oc2ccc(Br)cc2Cl)n1
InChIInChI=1S/C11H11BrClN5O/c1-18(2)10-15-9(14)16-11(17-10)19-8-4-3-6(12)5-7(8)13/h3-5H,1-2H3,(H2,14,15,16,17)
InChIKeyOYEQCJVMESPVOP-UHFFFAOYSA-N
MW344.60 g/mol
LogP2.73
Rot. Bonds3

About 6-(4-bromo-2-chlorophenoxy)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine

6-(4-bromo-2-chlorophenoxy)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine (PubChem CID 80882074) has the molecular formula C11H11BrClN5O and a molecular weight of 344.60 g/mol. Its IUPAC name is 6-(4-bromo-2-chlorophenoxy)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(4-bromo-2-chlorophenoxy)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
PubChem CID80882074
Molecular FormulaC11H11BrClN5O
Molecular Weight344.60 g/mol
Exact Mass342.98
IUPAC Name6-(4-bromo-2-chlorophenoxy)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCN(C)c1nc(N)nc(Oc2ccc(Br)cc2Cl)n1
InChIInChI=1S/C11H11BrClN5O/c1-18(2)10-15-9(14)16-11(17-10)19-8-4-3-6(12)5-7(8)13/h3-5H,1-2H3,(H2,14,15,16,17)
InChIKeyOYEQCJVMESPVOP-UHFFFAOYSA-N
XLogP2.73
TPSA77.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.60
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-(4-bromo-2-chlorophenoxy)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

6-(2,4-dibromophenoxy)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 80877262
6-(2-bromo-4-methoxyphenoxy)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 104708770
6-(2-chloro-5-nitrophenoxy)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 80880404
6-(3-chlorophenoxy)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 80870325
6-(4-bromo-2-chlorophenoxy)pyrimidine-2,4-diamine
CID 80881336
2-(4-bromo-2-chlorophenoxy)pyrimidin-5-amine
CID 61145640
4-(2-chloro-4-fluorophenoxy)-6-methoxy-1,3,5-triazin-2-amine
CID 80867191
6-(3,5-dimethoxyphenoxy)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 80867209
2-(4-bromo-2-chlorophenoxy)-4-chloro-6-propan-2-yloxy-1,3,5-triazine
CID 62869293
6-(4-bromo-2-methylphenoxy)-4-N-ethyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 80880161
4-(2-bromo-4-methoxyphenoxy)-6-chloro-N,N-dimethyl-1,3,5-triazin-2-amine
CID 104707062
4-chloro-6-(2,4-dimethylphenoxy)-N,N-dimethyl-1,3,5-triazin-2-amine
CID 62868271

Frequently Asked Questions

What is the IUPAC name of 6-(4-bromo-2-chlorophenoxy)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(4-bromo-2-chlorophenoxy)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine (CID 80882074) is 6-(4-bromo-2-chlorophenoxy)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(4-bromo-2-chlorophenoxy)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(4-bromo-2-chlorophenoxy)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine is CN(C)c1nc(N)nc(Oc2ccc(Br)cc2Cl)n1.
What is the InChIKey of 6-(4-bromo-2-chlorophenoxy)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The InChIKey is OYEQCJVMESPVOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrClN5O/c1-18(2)10-15-9(14)16-11(17-10)19-8-4-3-6(12)5-7(8)13/h3-5H,1-2H3,(H2,14,15,16,17).
What are the key properties of 6-(4-bromo-2-chlorophenoxy)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
6-(4-bromo-2-chlorophenoxy)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine has a molecular weight of 344.60 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-bromo-2-chlorophenoxy)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80882074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).