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

C14H18BrN5O — CID 80880161

IUPAC6-(4-bromo-2-methylphenoxy)-4-N-ethyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(Oc2ccc(Br)cc2C)nc(N(C)C)n1
InChIInChI=1S/C14H18BrN5O/c1-5-16-12-17-13(20(3)4)19-14(18-12)21-11-7-6-10(15)8-9(11)2/h6-8H,5H2,1-4H3,(H,16,17,18,19)
InChIKeyZHUXCEQBRWLJHT-UHFFFAOYSA-N
MW352.24 g/mol
LogP3.23
Rot. Bonds5

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

6-(4-bromo-2-methylphenoxy)-4-N-ethyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine (PubChem CID 80880161) has the molecular formula C14H18BrN5O and a molecular weight of 352.24 g/mol. Its IUPAC name is 6-(4-bromo-2-methylphenoxy)-4-N-ethyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(4-bromo-2-methylphenoxy)-4-N-ethyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
PubChem CID80880161
Molecular FormulaC14H18BrN5O
Molecular Weight352.24 g/mol
Exact Mass351.07
IUPAC Name6-(4-bromo-2-methylphenoxy)-4-N-ethyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(Oc2ccc(Br)cc2C)nc(N(C)C)n1
InChIInChI=1S/C14H18BrN5O/c1-5-16-12-17-13(20(3)4)19-14(18-12)21-11-7-6-10(15)8-9(11)2/h6-8H,5H2,1-4H3,(H,16,17,18,19)
InChIKeyZHUXCEQBRWLJHT-UHFFFAOYSA-N
XLogP3.23
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.24
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

4-(4-bromo-2-methylphenoxy)-N-ethyl-6-methoxy-1,3,5-triazin-2-amine
CID 80879229
6-(5-bromo-2-fluorophenoxy)-4-N-ethyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 114677283
4-N-ethyl-6-(5-fluoro-2-methylphenoxy)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 102989134
4-(5-bromo-2-methylphenoxy)-N-ethyl-6-methoxy-1,3,5-triazin-2-amine
CID 107287620
4-(4-bromo-2-methylphenoxy)-N-ethyl-6-methylpyrimidin-2-amine
CID 80879089
6-(2,4-dimethylphenoxy)-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine
CID 80863196
4-N-ethyl-2-N,2-N-dimethyl-6-[6-[2-(2-methylphenoxy)ethoxy]pyridazin-3-yl]oxy-1,3,5-triazine-2,4-diamine
CID 2938024
[4-(4-bromo-2-methylphenoxy)-6-ethoxy-1,3,5-triazin-2-yl]hydrazine
CID 80925530
6-(2,4-dibromophenoxy)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 80877262
6-(4-bromo-2-chlorophenoxy)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 80882074
4-N-(3-bromo-4-methylphenyl)-6-N-ethyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine
CID 80815708
6-(2,5-dimethylphenoxy)-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine
CID 80864385

Frequently Asked Questions

What is the IUPAC name of 6-(4-bromo-2-methylphenoxy)-4-N-ethyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(4-bromo-2-methylphenoxy)-4-N-ethyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine (CID 80880161) is 6-(4-bromo-2-methylphenoxy)-4-N-ethyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(4-bromo-2-methylphenoxy)-4-N-ethyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(4-bromo-2-methylphenoxy)-4-N-ethyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine is CCNc1nc(Oc2ccc(Br)cc2C)nc(N(C)C)n1.
What is the InChIKey of 6-(4-bromo-2-methylphenoxy)-4-N-ethyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The InChIKey is ZHUXCEQBRWLJHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN5O/c1-5-16-12-17-13(20(3)4)19-14(18-12)21-11-7-6-10(15)8-9(11)2/h6-8H,5H2,1-4H3,(H,16,17,18,19).
What are the key properties of 6-(4-bromo-2-methylphenoxy)-4-N-ethyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
6-(4-bromo-2-methylphenoxy)-4-N-ethyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine has a molecular weight of 352.24 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-bromo-2-methylphenoxy)-4-N-ethyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80880161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).