[2-(5-bromo-2-methoxyphenyl)-1-(5-methylpyrimidin-2-yl)ethyl]hydrazine

C14H17BrN4O — CID 105261563

IUPAC[2-(5-bromo-2-methoxyphenyl)-1-(5-methylpyrimidin-2-yl)ethyl]hydrazine
SMILESCOc1ccc(Br)cc1CC(NN)c1ncc(C)cn1
InChIInChI=1S/C14H17BrN4O/c1-9-7-17-14(18-8-9)12(19-16)6-10-5-11(15)3-4-13(10)20-2/h3-5,7-8,12,19H,6,16H2,1-2H3
InChIKeyHTCCZAPZWQCBTL-UHFFFAOYSA-N
MW337.22 g/mol
LogP2.30
Rot. Bonds5

About [2-(5-bromo-2-methoxyphenyl)-1-(5-methylpyrimidin-2-yl)ethyl]hydrazine

[2-(5-bromo-2-methoxyphenyl)-1-(5-methylpyrimidin-2-yl)ethyl]hydrazine (PubChem CID 105261563) has the molecular formula C14H17BrN4O and a molecular weight of 337.22 g/mol. Its IUPAC name is [2-(5-bromo-2-methoxyphenyl)-1-(5-methylpyrimidin-2-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-(5-bromo-2-methoxyphenyl)-1-(5-methylpyrimidin-2-yl)ethyl]hydrazine
PubChem CID105261563
Molecular FormulaC14H17BrN4O
Molecular Weight337.22 g/mol
Exact Mass336.06
IUPAC Name[2-(5-bromo-2-methoxyphenyl)-1-(5-methylpyrimidin-2-yl)ethyl]hydrazine
SMILESCOc1ccc(Br)cc1CC(NN)c1ncc(C)cn1
InChIInChI=1S/C14H17BrN4O/c1-9-7-17-14(18-8-9)12(19-16)6-10-5-11(15)3-4-13(10)20-2/h3-5,7-8,12,19H,6,16H2,1-2H3
InChIKeyHTCCZAPZWQCBTL-UHFFFAOYSA-N
XLogP2.30
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.22
LogP ≤ 52.30
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-(5-bromo-3-pyridinyl)ethyl]hydrazine
CID 105251172
[2-(5-bromo-2-methoxyphenyl)-1-(6-methoxypyrimidin-4-yl)ethyl]hydrazine
CID 102953300
[2-(2-methoxy-5-methylphenyl)-1-pyrimidin-2-ylethyl]hydrazine
CID 105203747
[2-(5-bromo-2-methoxyphenyl)-1-(3-bromophenyl)ethyl]hydrazine
CID 105198026
[2-(3-fluoro-4-methoxyphenyl)-1-(5-methylpyrimidin-2-yl)ethyl]hydrazine
CID 105261518
[2-(5-bromo-2-methoxyphenyl)-1-(2-chloro-4-pyridinyl)ethyl]hydrazine
CID 105252760
[2-(5-bromo-2-methoxyphenyl)-1-(5-chlorofuran-2-yl)ethyl]hydrazine
CID 106694227
[2-(2-bromo-5-fluorophenyl)-1-(5-methylpyrimidin-2-yl)ethyl]hydrazine
CID 105261623
[2-(5-bromo-2-methoxyphenyl)-1-(4-iodophenyl)ethyl]hydrazine
CID 105290205
[1-(5-bromofuran-2-yl)-2-(5-bromo-2-methoxyphenyl)ethyl]hydrazine
CID 105290206
[2-(5-bromo-2-methoxyphenyl)-1-(3-methoxyphenyl)ethyl]hydrazine
CID 105191716
2-(5-bromo-2-methoxyphenyl)-1-(5-methyl-2-pyridinyl)ethanol
CID 81320149

Frequently Asked Questions

What is the IUPAC name of [2-(5-bromo-2-methoxyphenyl)-1-(5-methylpyrimidin-2-yl)ethyl]hydrazine?
The IUPAC name of [2-(5-bromo-2-methoxyphenyl)-1-(5-methylpyrimidin-2-yl)ethyl]hydrazine (CID 105261563) is [2-(5-bromo-2-methoxyphenyl)-1-(5-methylpyrimidin-2-yl)ethyl]hydrazine.
What is the SMILES notation for [2-(5-bromo-2-methoxyphenyl)-1-(5-methylpyrimidin-2-yl)ethyl]hydrazine?
The canonical SMILES for [2-(5-bromo-2-methoxyphenyl)-1-(5-methylpyrimidin-2-yl)ethyl]hydrazine is COc1ccc(Br)cc1CC(NN)c1ncc(C)cn1.
What is the InChIKey of [2-(5-bromo-2-methoxyphenyl)-1-(5-methylpyrimidin-2-yl)ethyl]hydrazine?
The InChIKey is HTCCZAPZWQCBTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN4O/c1-9-7-17-14(18-8-9)12(19-16)6-10-5-11(15)3-4-13(10)20-2/h3-5,7-8,12,19H,6,16H2,1-2H3.
What are the key properties of [2-(5-bromo-2-methoxyphenyl)-1-(5-methylpyrimidin-2-yl)ethyl]hydrazine?
[2-(5-bromo-2-methoxyphenyl)-1-(5-methylpyrimidin-2-yl)ethyl]hydrazine has a molecular weight of 337.22 g/mol, XLogP of 2.30, 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-methoxyphenyl)-1-(5-methylpyrimidin-2-yl)ethyl]hydrazine is sourced from PubChem (CID 105261563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).