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

C14H17BrN4O2 — CID 102953300

IUPAC[2-(5-bromo-2-methoxyphenyl)-1-(6-methoxypyrimidin-4-yl)ethyl]hydrazine
SMILESCOc1cc(C(Cc2cc(Br)ccc2OC)NN)ncn1
InChIInChI=1S/C14H17BrN4O2/c1-20-13-4-3-10(15)5-9(13)6-12(19-16)11-7-14(21-2)18-8-17-11/h3-5,7-8,12,19H,6,16H2,1-2H3
InChIKeyJIQMODATKQDAPN-UHFFFAOYSA-N
MW353.22 g/mol
LogP2.00
Rot. Bonds6

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

[2-(5-bromo-2-methoxyphenyl)-1-(6-methoxypyrimidin-4-yl)ethyl]hydrazine (PubChem CID 102953300) has the molecular formula C14H17BrN4O2 and a molecular weight of 353.22 g/mol. Its IUPAC name is [2-(5-bromo-2-methoxyphenyl)-1-(6-methoxypyrimidin-4-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-(5-bromo-2-methoxyphenyl)-1-(6-methoxypyrimidin-4-yl)ethyl]hydrazine
PubChem CID102953300
Molecular FormulaC14H17BrN4O2
Molecular Weight353.22 g/mol
Exact Mass352.05
IUPAC Name[2-(5-bromo-2-methoxyphenyl)-1-(6-methoxypyrimidin-4-yl)ethyl]hydrazine
SMILESCOc1cc(C(Cc2cc(Br)ccc2OC)NN)ncn1
InChIInChI=1S/C14H17BrN4O2/c1-20-13-4-3-10(15)5-9(13)6-12(19-16)11-7-14(21-2)18-8-17-11/h3-5,7-8,12,19H,6,16H2,1-2H3
InChIKeyJIQMODATKQDAPN-UHFFFAOYSA-N
XLogP2.00
TPSA82.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.22
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-fluorophenyl)-1-(6-methoxypyrimidin-4-yl)ethyl]hydrazine
CID 102953441
2-(5-bromo-2-methoxyphenyl)-1-(6-methoxypyrimidin-4-yl)ethanamine
CID 102950747
[2-(5-bromo-2-methoxyphenyl)-1-(5-methylpyrimidin-2-yl)ethyl]hydrazine
CID 105261563
[2-(5-bromo-2-methoxyphenyl)-1-(5-chlorofuran-2-yl)ethyl]hydrazine
CID 106694227
[1-(5-bromofuran-2-yl)-2-(5-bromo-2-methoxyphenyl)ethyl]hydrazine
CID 105290206
[2-(5-bromo-2-methoxyphenyl)-1-(5-bromo-3-pyridinyl)ethyl]hydrazine
CID 105251172
[2-(2,3-dichlorophenyl)-1-(6-methoxypyrimidin-4-yl)ethyl]hydrazine
CID 107312811
[2-(5-bromo-2-methoxyphenyl)-1-(3-bromophenyl)ethyl]hydrazine
CID 105198026
[2-(5-bromo-2-methoxyphenyl)-1-(2-chloro-4-pyridinyl)ethyl]hydrazine
CID 105252760
[2-(5-bromo-2-methoxyphenyl)-1-(4-iodophenyl)ethyl]hydrazine
CID 105290205
2-(5-bromo-2-methoxyphenyl)-N-methyl-1-pyrimidin-4-ylethanamine
CID 63987280
[2-(5-bromo-2-methoxyphenyl)-1-(3-methoxyphenyl)ethyl]hydrazine
CID 105191716

Frequently Asked Questions

What is the IUPAC name of [2-(5-bromo-2-methoxyphenyl)-1-(6-methoxypyrimidin-4-yl)ethyl]hydrazine?
The IUPAC name of [2-(5-bromo-2-methoxyphenyl)-1-(6-methoxypyrimidin-4-yl)ethyl]hydrazine (CID 102953300) is [2-(5-bromo-2-methoxyphenyl)-1-(6-methoxypyrimidin-4-yl)ethyl]hydrazine.
What is the SMILES notation for [2-(5-bromo-2-methoxyphenyl)-1-(6-methoxypyrimidin-4-yl)ethyl]hydrazine?
The canonical SMILES for [2-(5-bromo-2-methoxyphenyl)-1-(6-methoxypyrimidin-4-yl)ethyl]hydrazine is COc1cc(C(Cc2cc(Br)ccc2OC)NN)ncn1.
What is the InChIKey of [2-(5-bromo-2-methoxyphenyl)-1-(6-methoxypyrimidin-4-yl)ethyl]hydrazine?
The InChIKey is JIQMODATKQDAPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN4O2/c1-20-13-4-3-10(15)5-9(13)6-12(19-16)11-7-14(21-2)18-8-17-11/h3-5,7-8,12,19H,6,16H2,1-2H3.
What are the key properties of [2-(5-bromo-2-methoxyphenyl)-1-(6-methoxypyrimidin-4-yl)ethyl]hydrazine?
[2-(5-bromo-2-methoxyphenyl)-1-(6-methoxypyrimidin-4-yl)ethyl]hydrazine has a molecular weight of 353.22 g/mol, XLogP of 2.00, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-bromo-2-methoxyphenyl)-1-(6-methoxypyrimidin-4-yl)ethyl]hydrazine is sourced from PubChem (CID 102953300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).