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

C13H15BrN4O — CID 107287696

IUPAC[6-(5-bromo-2-methylphenoxy)-2,5-dimethylpyrimidin-4-yl]hydrazine
SMILESCc1nc(NN)c(C)c(Oc2cc(Br)ccc2C)n1
InChIInChI=1S/C13H15BrN4O/c1-7-4-5-10(14)6-11(7)19-13-8(2)12(18-15)16-9(3)17-13/h4-6H,15H2,1-3H3,(H,16,17,18)
InChIKeyAEHTXHBXTYCJRE-UHFFFAOYSA-N
MW323.19 g/mol
LogP3.24
Rot. Bonds3

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

[6-(5-bromo-2-methylphenoxy)-2,5-dimethylpyrimidin-4-yl]hydrazine (PubChem CID 107287696) has the molecular formula C13H15BrN4O and a molecular weight of 323.19 g/mol. Its IUPAC name is [6-(5-bromo-2-methylphenoxy)-2,5-dimethylpyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[6-(5-bromo-2-methylphenoxy)-2,5-dimethylpyrimidin-4-yl]hydrazine
PubChem CID107287696
Molecular FormulaC13H15BrN4O
Molecular Weight323.19 g/mol
Exact Mass322.04
IUPAC Name[6-(5-bromo-2-methylphenoxy)-2,5-dimethylpyrimidin-4-yl]hydrazine
SMILESCc1nc(NN)c(C)c(Oc2cc(Br)ccc2C)n1
InChIInChI=1S/C13H15BrN4O/c1-7-4-5-10(14)6-11(7)19-13-8(2)12(18-15)16-9(3)17-13/h4-6H,15H2,1-3H3,(H,16,17,18)
InChIKeyAEHTXHBXTYCJRE-UHFFFAOYSA-N
XLogP3.24
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.19
LogP ≤ 53.24
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-(5-bromo-2-methylphenoxy)-N,2,5-trimethylpyrimidin-4-amine
CID 107287427
[6-(5-bromo-2-methylphenoxy)-2-methylpyrimidin-4-yl]hydrazine
CID 107287706
[6-[(4-bromophenyl)methoxy]-2,5-dimethylpyrimidin-4-yl]hydrazine
CID 82825311
6-(5-bromo-2-methylphenoxy)-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine
CID 107287481
[6-(4-bromo-3-fluorophenoxy)-2,5-dimethylpyrimidin-4-yl]hydrazine
CID 80921981
6-(4-bromo-2-chlorophenoxy)-N-ethyl-2,5-dimethylpyrimidin-4-amine
CID 80881509
[6-(4-bromo-2-chlorophenoxy)-5-methyl-2-propan-2-ylpyrimidin-4-yl]hydrazine
CID 81001299
[6-(4-bromo-2-methylphenoxy)-5-methylpyrimidin-4-yl]hydrazine
CID 80924994
[2-cyclopropyl-6-(2,4-dibromophenoxy)-5-methylpyrimidin-4-yl]hydrazine
CID 81000209
[6-(5-chloro-2-methylphenoxy)-2-cyclopropyl-5-methylpyrimidin-4-yl]hydrazine
CID 81000980
4-(5-bromo-2-methylphenoxy)-6-hydrazinylpyrimidin-2-amine
CID 107287670
6-(5-bromo-2-methylphenoxy)-2-tert-butyl-5-methylpyrimidin-4-amine
CID 107287649

Frequently Asked Questions

What is the IUPAC name of [6-(5-bromo-2-methylphenoxy)-2,5-dimethylpyrimidin-4-yl]hydrazine?
The IUPAC name of [6-(5-bromo-2-methylphenoxy)-2,5-dimethylpyrimidin-4-yl]hydrazine (CID 107287696) is [6-(5-bromo-2-methylphenoxy)-2,5-dimethylpyrimidin-4-yl]hydrazine.
What is the SMILES notation for [6-(5-bromo-2-methylphenoxy)-2,5-dimethylpyrimidin-4-yl]hydrazine?
The canonical SMILES for [6-(5-bromo-2-methylphenoxy)-2,5-dimethylpyrimidin-4-yl]hydrazine is Cc1nc(NN)c(C)c(Oc2cc(Br)ccc2C)n1.
What is the InChIKey of [6-(5-bromo-2-methylphenoxy)-2,5-dimethylpyrimidin-4-yl]hydrazine?
The InChIKey is AEHTXHBXTYCJRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN4O/c1-7-4-5-10(14)6-11(7)19-13-8(2)12(18-15)16-9(3)17-13/h4-6H,15H2,1-3H3,(H,16,17,18).
What are the key properties of [6-(5-bromo-2-methylphenoxy)-2,5-dimethylpyrimidin-4-yl]hydrazine?
[6-(5-bromo-2-methylphenoxy)-2,5-dimethylpyrimidin-4-yl]hydrazine has a molecular weight of 323.19 g/mol, XLogP of 3.24, 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)-2,5-dimethylpyrimidin-4-yl]hydrazine is sourced from PubChem (CID 107287696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).