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

C13H15BrN4O — CID 80940833

IUPAC[6-(2-bromo-4-methylphenoxy)-2-ethylpyrimidin-4-yl]hydrazine
SMILESCCc1nc(NN)cc(Oc2ccc(C)cc2Br)n1
InChIInChI=1S/C13H15BrN4O/c1-3-11-16-12(18-15)7-13(17-11)19-10-5-4-8(2)6-9(10)14/h4-7H,3,15H2,1-2H3,(H,16,17,18)
InChIKeyPSOSHIFPVHHULP-UHFFFAOYSA-N
MW323.19 g/mol
LogP3.19
Rot. Bonds4

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

[6-(2-bromo-4-methylphenoxy)-2-ethylpyrimidin-4-yl]hydrazine (PubChem CID 80940833) has the molecular formula C13H15BrN4O and a molecular weight of 323.19 g/mol. Its IUPAC name is [6-(2-bromo-4-methylphenoxy)-2-ethylpyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[6-(2-bromo-4-methylphenoxy)-2-ethylpyrimidin-4-yl]hydrazine
PubChem CID80940833
Molecular FormulaC13H15BrN4O
Molecular Weight323.19 g/mol
Exact Mass322.04
IUPAC Name[6-(2-bromo-4-methylphenoxy)-2-ethylpyrimidin-4-yl]hydrazine
SMILESCCc1nc(NN)cc(Oc2ccc(C)cc2Br)n1
InChIInChI=1S/C13H15BrN4O/c1-3-11-16-12(18-15)7-13(17-11)19-10-5-4-8(2)6-9(10)14/h4-7H,3,15H2,1-2H3,(H,16,17,18)
InChIKeyPSOSHIFPVHHULP-UHFFFAOYSA-N
XLogP3.19
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.19
LogP ≤ 53.19
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

[2-ethyl-6-(2-methoxy-4-methylphenoxy)pyrimidin-4-yl]hydrazine
CID 80940996
[6-(2,5-dibromo-4-methoxyphenoxy)-2-ethylpyrimidin-4-yl]hydrazine
CID 80938302
6-(2-chloro-4-methylphenoxy)-2-ethyl-N-methylpyrimidin-4-amine
CID 80942372
[6-(2-bromo-4-methylphenoxy)pyrazin-2-yl]hydrazine
CID 80912756
[6-(5-chloro-2-methylphenoxy)-2-ethylpyrimidin-4-yl]hydrazine
CID 80938715
[2-ethyl-6-(2-fluorophenoxy)pyrimidin-4-yl]hydrazine
CID 80940358
[6-(3-bromophenoxy)-2-ethylpyrimidin-4-yl]hydrazine
CID 80939353
(2-ethyl-6-phenoxypyrimidin-4-yl)hydrazine
CID 80939130
6-(2,4-dibromophenoxy)-2-ethyl-N-propylpyrimidin-4-amine
CID 80939111
[6-(2-tert-butylphenoxy)-2-ethylpyrimidin-4-yl]hydrazine
CID 80939744
6-(2-bromo-4-methylphenoxy)-2-ethyl-N,5-dimethylpyrimidin-4-amine
CID 80988049
6-(2-bromo-4-methylphenoxy)-2-ethoxypyridin-3-amine
CID 43262424

Frequently Asked Questions

What is the IUPAC name of [6-(2-bromo-4-methylphenoxy)-2-ethylpyrimidin-4-yl]hydrazine?
The IUPAC name of [6-(2-bromo-4-methylphenoxy)-2-ethylpyrimidin-4-yl]hydrazine (CID 80940833) is [6-(2-bromo-4-methylphenoxy)-2-ethylpyrimidin-4-yl]hydrazine.
What is the SMILES notation for [6-(2-bromo-4-methylphenoxy)-2-ethylpyrimidin-4-yl]hydrazine?
The canonical SMILES for [6-(2-bromo-4-methylphenoxy)-2-ethylpyrimidin-4-yl]hydrazine is CCc1nc(NN)cc(Oc2ccc(C)cc2Br)n1.
What is the InChIKey of [6-(2-bromo-4-methylphenoxy)-2-ethylpyrimidin-4-yl]hydrazine?
The InChIKey is PSOSHIFPVHHULP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN4O/c1-3-11-16-12(18-15)7-13(17-11)19-10-5-4-8(2)6-9(10)14/h4-7H,3,15H2,1-2H3,(H,16,17,18).
What are the key properties of [6-(2-bromo-4-methylphenoxy)-2-ethylpyrimidin-4-yl]hydrazine?
[6-(2-bromo-4-methylphenoxy)-2-ethylpyrimidin-4-yl]hydrazine has a molecular weight of 323.19 g/mol, XLogP of 3.19, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2-bromo-4-methylphenoxy)-2-ethylpyrimidin-4-yl]hydrazine is sourced from PubChem (CID 80940833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).