[6-(4-bromo-3-methylphenoxy)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine

C12H10BrF3N4O — CID 106776480

IUPAC[6-(4-bromo-3-methylphenoxy)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
SMILESCc1cc(Oc2cc(NN)nc(C(F)(F)F)n2)ccc1Br
InChIInChI=1S/C12H10BrF3N4O/c1-6-4-7(2-3-8(6)13)21-10-5-9(20-17)18-11(19-10)12(14,15)16/h2-5H,17H2,1H3,(H,18,19,20)
InChIKeyWZRNJPUCBYCAGD-UHFFFAOYSA-N
MW363.14 g/mol
LogP3.64
Rot. Bonds3

About [6-(4-bromo-3-methylphenoxy)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine

[6-(4-bromo-3-methylphenoxy)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine (PubChem CID 106776480) has the molecular formula C12H10BrF3N4O and a molecular weight of 363.14 g/mol. Its IUPAC name is [6-(4-bromo-3-methylphenoxy)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[6-(4-bromo-3-methylphenoxy)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
PubChem CID106776480
Molecular FormulaC12H10BrF3N4O
Molecular Weight363.14 g/mol
Exact Mass362.00
IUPAC Name[6-(4-bromo-3-methylphenoxy)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
SMILESCc1cc(Oc2cc(NN)nc(C(F)(F)F)n2)ccc1Br
InChIInChI=1S/C12H10BrF3N4O/c1-6-4-7(2-3-8(6)13)21-10-5-9(20-17)18-11(19-10)12(14,15)16/h2-5H,17H2,1H3,(H,18,19,20)
InChIKeyWZRNJPUCBYCAGD-UHFFFAOYSA-N
XLogP3.64
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.14
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[6-(3,4-difluorophenoxy)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
CID 106776400
[6-(4-bromo-2-methylphenoxy)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
CID 106776430
[6-(2-bromo-5-fluorophenoxy)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
CID 106776470
[6-(2,5-dimethylphenoxy)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
CID 106776371
[6-(3-fluorophenoxy)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
CID 106776384
[6-(5-fluoro-2-methylphenoxy)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
CID 106776494
6-(4-bromo-3-methylphenoxy)-4-(trifluoromethyl)pyridin-2-amine
CID 102720089
4-(4-bromo-3-methylphenoxy)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114566596
[6-(2-fluoro-5-methylphenoxy)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
CID 106776454
[6-(3,4-dimethylphenoxy)-2-methylpyrimidin-4-yl]hydrazine
CID 80915052
[6-(1-propan-2-ylpyrazol-4-yl)oxy-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
CID 106776489
4-chloro-6-(3,4-dimethylphenoxy)-2-(trifluoromethyl)pyrimidine
CID 106766697

Frequently Asked Questions

What is the IUPAC name of [6-(4-bromo-3-methylphenoxy)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine?
The IUPAC name of [6-(4-bromo-3-methylphenoxy)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine (CID 106776480) is [6-(4-bromo-3-methylphenoxy)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [6-(4-bromo-3-methylphenoxy)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine?
The canonical SMILES for [6-(4-bromo-3-methylphenoxy)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine is Cc1cc(Oc2cc(NN)nc(C(F)(F)F)n2)ccc1Br.
What is the InChIKey of [6-(4-bromo-3-methylphenoxy)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine?
The InChIKey is WZRNJPUCBYCAGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrF3N4O/c1-6-4-7(2-3-8(6)13)21-10-5-9(20-17)18-11(19-10)12(14,15)16/h2-5H,17H2,1H3,(H,18,19,20).
What are the key properties of [6-(4-bromo-3-methylphenoxy)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine?
[6-(4-bromo-3-methylphenoxy)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine has a molecular weight of 363.14 g/mol, XLogP of 3.64, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(4-bromo-3-methylphenoxy)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 106776480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).