[2-(5-bromo-2-fluorophenyl)-1-(6-methoxypyrimidin-4-yl)ethyl]hydrazine

C13H14BrFN4O — CID 102953441

IUPAC[2-(5-bromo-2-fluorophenyl)-1-(6-methoxypyrimidin-4-yl)ethyl]hydrazine
SMILESCOc1cc(C(Cc2cc(Br)ccc2F)NN)ncn1
InChIInChI=1S/C13H14BrFN4O/c1-20-13-6-11(17-7-18-13)12(19-16)5-8-4-9(14)2-3-10(8)15/h2-4,6-7,12,19H,5,16H2,1H3
InChIKeyROXHSYCKZLISNL-UHFFFAOYSA-N
MW341.18 g/mol
LogP2.13
Rot. Bonds5

About [2-(5-bromo-2-fluorophenyl)-1-(6-methoxypyrimidin-4-yl)ethyl]hydrazine

[2-(5-bromo-2-fluorophenyl)-1-(6-methoxypyrimidin-4-yl)ethyl]hydrazine (PubChem CID 102953441) has the molecular formula C13H14BrFN4O and a molecular weight of 341.18 g/mol. Its IUPAC name is [2-(5-bromo-2-fluorophenyl)-1-(6-methoxypyrimidin-4-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-(5-bromo-2-fluorophenyl)-1-(6-methoxypyrimidin-4-yl)ethyl]hydrazine
PubChem CID102953441
Molecular FormulaC13H14BrFN4O
Molecular Weight341.18 g/mol
Exact Mass340.03
IUPAC Name[2-(5-bromo-2-fluorophenyl)-1-(6-methoxypyrimidin-4-yl)ethyl]hydrazine
SMILESCOc1cc(C(Cc2cc(Br)ccc2F)NN)ncn1
InChIInChI=1S/C13H14BrFN4O/c1-20-13-6-11(17-7-18-13)12(19-16)5-8-4-9(14)2-3-10(8)15/h2-4,6-7,12,19H,5,16H2,1H3
InChIKeyROXHSYCKZLISNL-UHFFFAOYSA-N
XLogP2.13
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.18
LogP ≤ 52.13
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-(5-bromo-2-methoxyphenyl)-1-(6-methoxypyrimidin-4-yl)ethyl]hydrazine
CID 102953300
2-(5-bromo-2-fluorophenyl)-1-(6-methoxypyrimidin-4-yl)ethanamine
CID 102950825
[2-(5-bromo-2-fluorophenyl)-1-(4-methyl-2-pyridinyl)ethyl]hydrazine
CID 105219962
2-(4-bromo-2-fluorophenyl)-1-(6-methoxypyrimidin-4-yl)ethanamine
CID 102950753
2-(4-bromo-2-fluorophenyl)-1-(6-methoxypyrimidin-4-yl)ethanol
CID 102950450
[2-(2,3-dichlorophenyl)-1-(6-methoxypyrimidin-4-yl)ethyl]hydrazine
CID 107312811
2-(5-bromo-2-methoxyphenyl)-1-(6-methoxypyrimidin-4-yl)ethanamine
CID 102950747
[2-(5-bromo-2-fluorophenyl)-1-(2-bromo-5-methoxyphenyl)ethyl]hydrazine
CID 105294959
[2-(5-bromo-2-fluorophenyl)-1-(2,4,6-trimethylphenyl)ethyl]hydrazine
CID 105294922
[2-(5-chloro-2-fluorophenyl)-1-(6-methoxypyridazin-3-yl)ethyl]hydrazine
CID 103375753
[2-(5-bromo-2-fluorophenyl)-1-(5-methylfuran-2-yl)ethyl]hydrazine
CID 105294948
[1-(4-bromo-2-fluorophenyl)-2-(5-bromo-2-fluorophenyl)ethyl]hydrazine
CID 105280917

Frequently Asked Questions

What is the IUPAC name of [2-(5-bromo-2-fluorophenyl)-1-(6-methoxypyrimidin-4-yl)ethyl]hydrazine?
The IUPAC name of [2-(5-bromo-2-fluorophenyl)-1-(6-methoxypyrimidin-4-yl)ethyl]hydrazine (CID 102953441) is [2-(5-bromo-2-fluorophenyl)-1-(6-methoxypyrimidin-4-yl)ethyl]hydrazine.
What is the SMILES notation for [2-(5-bromo-2-fluorophenyl)-1-(6-methoxypyrimidin-4-yl)ethyl]hydrazine?
The canonical SMILES for [2-(5-bromo-2-fluorophenyl)-1-(6-methoxypyrimidin-4-yl)ethyl]hydrazine is COc1cc(C(Cc2cc(Br)ccc2F)NN)ncn1.
What is the InChIKey of [2-(5-bromo-2-fluorophenyl)-1-(6-methoxypyrimidin-4-yl)ethyl]hydrazine?
The InChIKey is ROXHSYCKZLISNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrFN4O/c1-20-13-6-11(17-7-18-13)12(19-16)5-8-4-9(14)2-3-10(8)15/h2-4,6-7,12,19H,5,16H2,1H3.
What are the key properties of [2-(5-bromo-2-fluorophenyl)-1-(6-methoxypyrimidin-4-yl)ethyl]hydrazine?
[2-(5-bromo-2-fluorophenyl)-1-(6-methoxypyrimidin-4-yl)ethyl]hydrazine has a molecular weight of 341.18 g/mol, XLogP of 2.13, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-bromo-2-fluorophenyl)-1-(6-methoxypyrimidin-4-yl)ethyl]hydrazine is sourced from PubChem (CID 102953441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).