6-(2-bromo-4-chlorophenoxy)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine

C12H8BrClF3N3O — CID 106774162

IUPAC6-(2-bromo-4-chlorophenoxy)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCNc1cc(Oc2ccc(Cl)cc2Br)nc(C(F)(F)F)n1
InChIInChI=1S/C12H8BrClF3N3O/c1-18-9-5-10(20-11(19-9)12(15,16)17)21-8-3-2-6(14)4-7(8)13/h2-5H,1H3,(H,18,19,20)
InChIKeyNHEVXCZIWDFKMV-UHFFFAOYSA-N
MW382.57 g/mol
LogP4.75
Rot. Bonds3

About 6-(2-bromo-4-chlorophenoxy)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine

6-(2-bromo-4-chlorophenoxy)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 106774162) has the molecular formula C12H8BrClF3N3O and a molecular weight of 382.57 g/mol. Its IUPAC name is 6-(2-bromo-4-chlorophenoxy)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-(2-bromo-4-chlorophenoxy)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine
PubChem CID106774162
Molecular FormulaC12H8BrClF3N3O
Molecular Weight382.57 g/mol
Exact Mass380.95
IUPAC Name6-(2-bromo-4-chlorophenoxy)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCNc1cc(Oc2ccc(Cl)cc2Br)nc(C(F)(F)F)n1
InChIInChI=1S/C12H8BrClF3N3O/c1-18-9-5-10(20-11(19-9)12(15,16)17)21-8-3-2-6(14)4-7(8)13/h2-5H,1H3,(H,18,19,20)
InChIKeyNHEVXCZIWDFKMV-UHFFFAOYSA-N
XLogP4.75
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.57
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[6-(2-bromo-4-chlorophenoxy)-2-tert-butylpyrimidin-4-yl]hydrazine
CID 80972766
6-(3,5-dichlorophenoxy)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106774251
6-(3-chloro-4-fluorophenoxy)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106774577
[4-(2-bromo-4-chlorophenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
CID 114567756
6-(2,4-dibromophenoxy)-4-N-methylpyrimidine-2,4-diamine
CID 80878001
6-(3-bromo-5-fluorophenoxy)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106774691
2-tert-butyl-6-(2-chloro-4-fluorophenoxy)-N-methylpyrimidin-4-amine
CID 80957916
4-(2-bromo-4-chlorophenoxy)-N-methylquinazolin-2-amine
CID 80874178
6-(2,4-dibromophenoxy)-N,2-dimethylpyrimidin-4-amine
CID 80877840
N-methyl-6-[(1-methyl-1,2,4-triazol-3-yl)oxy]-2-(trifluoromethyl)pyrimidin-4-amine
CID 106774851
[6-(4-bromo-2-methylphenoxy)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
CID 106776430
[6-(2-fluoro-5-methylphenoxy)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
CID 106776454

Frequently Asked Questions

What is the IUPAC name of 6-(2-bromo-4-chlorophenoxy)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of 6-(2-bromo-4-chlorophenoxy)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine (CID 106774162) is 6-(2-bromo-4-chlorophenoxy)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-(2-bromo-4-chlorophenoxy)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 6-(2-bromo-4-chlorophenoxy)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine is CNc1cc(Oc2ccc(Cl)cc2Br)nc(C(F)(F)F)n1.
What is the InChIKey of 6-(2-bromo-4-chlorophenoxy)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is NHEVXCZIWDFKMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrClF3N3O/c1-18-9-5-10(20-11(19-9)12(15,16)17)21-8-3-2-6(14)4-7(8)13/h2-5H,1H3,(H,18,19,20).
What are the key properties of 6-(2-bromo-4-chlorophenoxy)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine?
6-(2-bromo-4-chlorophenoxy)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 382.57 g/mol, XLogP of 4.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-bromo-4-chlorophenoxy)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 106774162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).