[2-(5-bromo-2-methoxyphenyl)pyrimidin-4-yl]hydrazine

C11H11BrN4O — CID 62250376

IUPAC[2-(5-bromo-2-methoxyphenyl)pyrimidin-4-yl]hydrazine
SMILESCOc1ccc(Br)cc1-c1nccc(NN)n1
InChIInChI=1S/C11H11BrN4O/c1-17-9-3-2-7(12)6-8(9)11-14-5-4-10(15-11)16-13/h2-6H,13H2,1H3,(H,14,15,16)
InChIKeyWZNCAENBZCPGLB-UHFFFAOYSA-N
MW295.14 g/mol
LogP2.20
Rot. Bonds3

About [2-(5-bromo-2-methoxyphenyl)pyrimidin-4-yl]hydrazine

[2-(5-bromo-2-methoxyphenyl)pyrimidin-4-yl]hydrazine (PubChem CID 62250376) has the molecular formula C11H11BrN4O and a molecular weight of 295.14 g/mol. Its IUPAC name is [2-(5-bromo-2-methoxyphenyl)pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[2-(5-bromo-2-methoxyphenyl)pyrimidin-4-yl]hydrazine
PubChem CID62250376
Molecular FormulaC11H11BrN4O
Molecular Weight295.14 g/mol
Exact Mass294.01
IUPAC Name[2-(5-bromo-2-methoxyphenyl)pyrimidin-4-yl]hydrazine
SMILESCOc1ccc(Br)cc1-c1nccc(NN)n1
InChIInChI=1S/C11H11BrN4O/c1-17-9-3-2-7(12)6-8(9)11-14-5-4-10(15-11)16-13/h2-6H,13H2,1H3,(H,14,15,16)
InChIKeyWZNCAENBZCPGLB-UHFFFAOYSA-N
XLogP2.20
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.14
LogP ≤ 52.20
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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Frequently Asked Questions

What is the IUPAC name of [2-(5-bromo-2-methoxyphenyl)pyrimidin-4-yl]hydrazine?
The IUPAC name of [2-(5-bromo-2-methoxyphenyl)pyrimidin-4-yl]hydrazine (CID 62250376) is [2-(5-bromo-2-methoxyphenyl)pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [2-(5-bromo-2-methoxyphenyl)pyrimidin-4-yl]hydrazine?
The canonical SMILES for [2-(5-bromo-2-methoxyphenyl)pyrimidin-4-yl]hydrazine is COc1ccc(Br)cc1-c1nccc(NN)n1.
What is the InChIKey of [2-(5-bromo-2-methoxyphenyl)pyrimidin-4-yl]hydrazine?
The InChIKey is WZNCAENBZCPGLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN4O/c1-17-9-3-2-7(12)6-8(9)11-14-5-4-10(15-11)16-13/h2-6H,13H2,1H3,(H,14,15,16).
What are the key properties of [2-(5-bromo-2-methoxyphenyl)pyrimidin-4-yl]hydrazine?
[2-(5-bromo-2-methoxyphenyl)pyrimidin-4-yl]hydrazine has a molecular weight of 295.14 g/mol, XLogP of 2.20, 3 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)pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 62250376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).