[2-[(4-bromo-3-methylphenoxy)methyl]-6-methylpyrimidin-4-yl]hydrazine

C13H15BrN4O — CID 83141076

IUPAC[2-[(4-bromo-3-methylphenoxy)methyl]-6-methylpyrimidin-4-yl]hydrazine
SMILESCc1cc(NN)nc(COc2ccc(Br)c(C)c2)n1
InChIInChI=1S/C13H15BrN4O/c1-8-5-10(3-4-11(8)14)19-7-13-16-9(2)6-12(17-13)18-15/h3-6H,7,15H2,1-2H3,(H,16,17,18)
InChIKeyLFIREJSJQOKENG-UHFFFAOYSA-N
MW323.19 g/mol
LogP2.72
Rot. Bonds4

About [2-[(4-bromo-3-methylphenoxy)methyl]-6-methylpyrimidin-4-yl]hydrazine

[2-[(4-bromo-3-methylphenoxy)methyl]-6-methylpyrimidin-4-yl]hydrazine (PubChem CID 83141076) has the molecular formula C13H15BrN4O and a molecular weight of 323.19 g/mol. Its IUPAC name is [2-[(4-bromo-3-methylphenoxy)methyl]-6-methylpyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[2-[(4-bromo-3-methylphenoxy)methyl]-6-methylpyrimidin-4-yl]hydrazine
PubChem CID83141076
Molecular FormulaC13H15BrN4O
Molecular Weight323.19 g/mol
Exact Mass322.04
IUPAC Name[2-[(4-bromo-3-methylphenoxy)methyl]-6-methylpyrimidin-4-yl]hydrazine
SMILESCc1cc(NN)nc(COc2ccc(Br)c(C)c2)n1
InChIInChI=1S/C13H15BrN4O/c1-8-5-10(3-4-11(8)14)19-7-13-16-9(2)6-12(17-13)18-15/h3-6H,7,15H2,1-2H3,(H,16,17,18)
InChIKeyLFIREJSJQOKENG-UHFFFAOYSA-N
XLogP2.72
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 ≤ 52.72
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-[(4-bromo-3-methylphenoxy)methyl]-6-methylpyrimidin-4-yl]hydrazine?
The IUPAC name of [2-[(4-bromo-3-methylphenoxy)methyl]-6-methylpyrimidin-4-yl]hydrazine (CID 83141076) is [2-[(4-bromo-3-methylphenoxy)methyl]-6-methylpyrimidin-4-yl]hydrazine.
What is the SMILES notation for [2-[(4-bromo-3-methylphenoxy)methyl]-6-methylpyrimidin-4-yl]hydrazine?
The canonical SMILES for [2-[(4-bromo-3-methylphenoxy)methyl]-6-methylpyrimidin-4-yl]hydrazine is Cc1cc(NN)nc(COc2ccc(Br)c(C)c2)n1.
What is the InChIKey of [2-[(4-bromo-3-methylphenoxy)methyl]-6-methylpyrimidin-4-yl]hydrazine?
The InChIKey is LFIREJSJQOKENG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN4O/c1-8-5-10(3-4-11(8)14)19-7-13-16-9(2)6-12(17-13)18-15/h3-6H,7,15H2,1-2H3,(H,16,17,18).
What are the key properties of [2-[(4-bromo-3-methylphenoxy)methyl]-6-methylpyrimidin-4-yl]hydrazine?
[2-[(4-bromo-3-methylphenoxy)methyl]-6-methylpyrimidin-4-yl]hydrazine has a molecular weight of 323.19 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-bromo-3-methylphenoxy)methyl]-6-methylpyrimidin-4-yl]hydrazine is sourced from PubChem (CID 83141076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).