[6-(5-bromo-2-methylphenoxy)-2-methylpyrimidin-4-yl]hydrazine

C12H13BrN4O — CID 107287706

IUPAC[6-(5-bromo-2-methylphenoxy)-2-methylpyrimidin-4-yl]hydrazine
SMILESCc1nc(NN)cc(Oc2cc(Br)ccc2C)n1
InChIInChI=1S/C12H13BrN4O/c1-7-3-4-9(13)5-10(7)18-12-6-11(17-14)15-8(2)16-12/h3-6H,14H2,1-2H3,(H,15,16,17)
InChIKeyPGSWDXRKLAENPY-UHFFFAOYSA-N
MW309.17 g/mol
LogP2.93
Rot. Bonds3

About [6-(5-bromo-2-methylphenoxy)-2-methylpyrimidin-4-yl]hydrazine

[6-(5-bromo-2-methylphenoxy)-2-methylpyrimidin-4-yl]hydrazine (PubChem CID 107287706) has the molecular formula C12H13BrN4O and a molecular weight of 309.17 g/mol. Its IUPAC name is [6-(5-bromo-2-methylphenoxy)-2-methylpyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[6-(5-bromo-2-methylphenoxy)-2-methylpyrimidin-4-yl]hydrazine
PubChem CID107287706
Molecular FormulaC12H13BrN4O
Molecular Weight309.17 g/mol
Exact Mass308.03
IUPAC Name[6-(5-bromo-2-methylphenoxy)-2-methylpyrimidin-4-yl]hydrazine
SMILESCc1nc(NN)cc(Oc2cc(Br)ccc2C)n1
InChIInChI=1S/C12H13BrN4O/c1-7-3-4-9(13)5-10(7)18-12-6-11(17-14)15-8(2)16-12/h3-6H,14H2,1-2H3,(H,15,16,17)
InChIKeyPGSWDXRKLAENPY-UHFFFAOYSA-N
XLogP2.93
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.17
LogP ≤ 52.93
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

4-(5-bromo-2-methylphenoxy)-6-hydrazinylpyrimidin-2-amine
CID 107287670
[6-(5-bromo-2-methylphenoxy)-2-propan-2-ylpyrimidin-4-yl]hydrazine
CID 107287677
[2-methyl-6-(2-methyl-5-nitrophenoxy)pyrimidin-4-yl]hydrazine
CID 80920604
[6-(3,4-dimethylphenoxy)-2-methylpyrimidin-4-yl]hydrazine
CID 80915052
[2-methyl-6-(2,3,5-trimethylphenoxy)pyrimidin-4-yl]hydrazine
CID 80916646
4-(5-chloro-2-methylphenoxy)-6-hydrazinylpyrimidin-2-amine
CID 80921660
[6-(5-bromo-2-methylphenoxy)-2,5-dimethylpyrimidin-4-yl]hydrazine
CID 107287696
6-(2,4-dibromophenoxy)-N,2-dimethylpyrimidin-4-amine
CID 80877840
[6-(4-bromo-2-methylphenoxy)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
CID 106776430
6-(4-bromo-2-chlorophenoxy)-2-methyl-N-propylpyrimidin-4-amine
CID 80881920
[6-(5-chloro-2-methylphenoxy)-2-ethylpyrimidin-4-yl]hydrazine
CID 80938715
[6-(2,5-dimethylphenoxy)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
CID 106776371

Frequently Asked Questions

What is the IUPAC name of [6-(5-bromo-2-methylphenoxy)-2-methylpyrimidin-4-yl]hydrazine?
The IUPAC name of [6-(5-bromo-2-methylphenoxy)-2-methylpyrimidin-4-yl]hydrazine (CID 107287706) is [6-(5-bromo-2-methylphenoxy)-2-methylpyrimidin-4-yl]hydrazine.
What is the SMILES notation for [6-(5-bromo-2-methylphenoxy)-2-methylpyrimidin-4-yl]hydrazine?
The canonical SMILES for [6-(5-bromo-2-methylphenoxy)-2-methylpyrimidin-4-yl]hydrazine is Cc1nc(NN)cc(Oc2cc(Br)ccc2C)n1.
What is the InChIKey of [6-(5-bromo-2-methylphenoxy)-2-methylpyrimidin-4-yl]hydrazine?
The InChIKey is PGSWDXRKLAENPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN4O/c1-7-3-4-9(13)5-10(7)18-12-6-11(17-14)15-8(2)16-12/h3-6H,14H2,1-2H3,(H,15,16,17).
What are the key properties of [6-(5-bromo-2-methylphenoxy)-2-methylpyrimidin-4-yl]hydrazine?
[6-(5-bromo-2-methylphenoxy)-2-methylpyrimidin-4-yl]hydrazine has a molecular weight of 309.17 g/mol, XLogP of 2.93, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(5-bromo-2-methylphenoxy)-2-methylpyrimidin-4-yl]hydrazine is sourced from PubChem (CID 107287706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).