4-(2-bromo-4-methoxyphenoxy)-6-chloro-N,N-dimethyl-1,3,5-triazin-2-amine

C12H12BrClN4O2 — CID 104707062

IUPAC4-(2-bromo-4-methoxyphenoxy)-6-chloro-N,N-dimethyl-1,3,5-triazin-2-amine
SMILESCOc1ccc(Oc2nc(Cl)nc(N(C)C)n2)c(Br)c1
InChIInChI=1S/C12H12BrClN4O2/c1-18(2)11-15-10(14)16-12(17-11)20-9-5-4-7(19-3)6-8(9)13/h4-6H,1-3H3
InChIKeyMBJZXVMWQCXOTC-UHFFFAOYSA-N
MW359.61 g/mol
LogP3.15
Rot. Bonds4

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

4-(2-bromo-4-methoxyphenoxy)-6-chloro-N,N-dimethyl-1,3,5-triazin-2-amine (PubChem CID 104707062) has the molecular formula C12H12BrClN4O2 and a molecular weight of 359.61 g/mol. Its IUPAC name is 4-(2-bromo-4-methoxyphenoxy)-6-chloro-N,N-dimethyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(2-bromo-4-methoxyphenoxy)-6-chloro-N,N-dimethyl-1,3,5-triazin-2-amine
PubChem CID104707062
Molecular FormulaC12H12BrClN4O2
Molecular Weight359.61 g/mol
Exact Mass357.98
IUPAC Name4-(2-bromo-4-methoxyphenoxy)-6-chloro-N,N-dimethyl-1,3,5-triazin-2-amine
SMILESCOc1ccc(Oc2nc(Cl)nc(N(C)C)n2)c(Br)c1
InChIInChI=1S/C12H12BrClN4O2/c1-18(2)11-15-10(14)16-12(17-11)20-9-5-4-7(19-3)6-8(9)13/h4-6H,1-3H3
InChIKeyMBJZXVMWQCXOTC-UHFFFAOYSA-N
XLogP3.15
TPSA60.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.61
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-(2-bromo-4-methoxyphenoxy)-6-chloro-N,N-dimethyl-1,3,5-triazin-2-amine with MolForge

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Related Compounds

6-(2-bromo-4-methoxyphenoxy)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 104708770
4-(4-bromo-3-fluorophenoxy)-6-chloro-N,N-dimethyl-1,3,5-triazin-2-amine
CID 65203549
4-chloro-6-(2,4-dimethylphenoxy)-N,N-dimethyl-1,3,5-triazin-2-amine
CID 62868271
2-chloro-4-(2,4-dibromophenoxy)-6-methoxy-1,3,5-triazine
CID 64718654
4-chloro-N,N-dimethyl-6-(2-methylphenoxy)-1,3,5-triazin-2-amine
CID 62869628
4-(2-bromo-4-methoxyphenoxy)-N,N-dimethylpyrimidin-2-amine
CID 104707588
6-(2,4-dibromophenoxy)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 80877262
4-chloro-6-(3-chloro-4-fluorophenoxy)-N,N-dimethyl-1,3,5-triazin-2-amine
CID 63877958
4-chloro-6-(4-ethylphenoxy)-N,N-dimethyl-1,3,5-triazin-2-amine
CID 62870135
5-(2-bromo-4-methoxyphenoxy)-3,6-dichloro-1,2,4-triazine
CID 104707066
4-chloro-N,N-dimethyl-6-(2,3,5-trimethylphenoxy)-1,3,5-triazin-2-amine
CID 62869809
2-(2-bromo-4-methoxyphenoxy)-4-methylpyrimidine
CID 104707648

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromo-4-methoxyphenoxy)-6-chloro-N,N-dimethyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-(2-bromo-4-methoxyphenoxy)-6-chloro-N,N-dimethyl-1,3,5-triazin-2-amine (CID 104707062) is 4-(2-bromo-4-methoxyphenoxy)-6-chloro-N,N-dimethyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(2-bromo-4-methoxyphenoxy)-6-chloro-N,N-dimethyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(2-bromo-4-methoxyphenoxy)-6-chloro-N,N-dimethyl-1,3,5-triazin-2-amine is COc1ccc(Oc2nc(Cl)nc(N(C)C)n2)c(Br)c1.
What is the InChIKey of 4-(2-bromo-4-methoxyphenoxy)-6-chloro-N,N-dimethyl-1,3,5-triazin-2-amine?
The InChIKey is MBJZXVMWQCXOTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrClN4O2/c1-18(2)11-15-10(14)16-12(17-11)20-9-5-4-7(19-3)6-8(9)13/h4-6H,1-3H3.
What are the key properties of 4-(2-bromo-4-methoxyphenoxy)-6-chloro-N,N-dimethyl-1,3,5-triazin-2-amine?
4-(2-bromo-4-methoxyphenoxy)-6-chloro-N,N-dimethyl-1,3,5-triazin-2-amine has a molecular weight of 359.61 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromo-4-methoxyphenoxy)-6-chloro-N,N-dimethyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 104707062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).