[6-(2-bromo-4-fluorophenoxy)-2,5-dimethylpyrimidin-4-yl]hydrazine

C12H12BrFN4O — CID 80918081

IUPAC[6-(2-bromo-4-fluorophenoxy)-2,5-dimethylpyrimidin-4-yl]hydrazine
SMILESCc1nc(NN)c(C)c(Oc2ccc(F)cc2Br)n1
InChIInChI=1S/C12H12BrFN4O/c1-6-11(18-15)16-7(2)17-12(6)19-10-4-3-8(14)5-9(10)13/h3-5H,15H2,1-2H3,(H,16,17,18)
InChIKeyPCTLECZKJVDXIL-UHFFFAOYSA-N
MW327.16 g/mol
LogP3.07
Rot. Bonds3

About [6-(2-bromo-4-fluorophenoxy)-2,5-dimethylpyrimidin-4-yl]hydrazine

[6-(2-bromo-4-fluorophenoxy)-2,5-dimethylpyrimidin-4-yl]hydrazine (PubChem CID 80918081) has the molecular formula C12H12BrFN4O and a molecular weight of 327.16 g/mol. Its IUPAC name is [6-(2-bromo-4-fluorophenoxy)-2,5-dimethylpyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[6-(2-bromo-4-fluorophenoxy)-2,5-dimethylpyrimidin-4-yl]hydrazine
PubChem CID80918081
Molecular FormulaC12H12BrFN4O
Molecular Weight327.16 g/mol
Exact Mass326.02
IUPAC Name[6-(2-bromo-4-fluorophenoxy)-2,5-dimethylpyrimidin-4-yl]hydrazine
SMILESCc1nc(NN)c(C)c(Oc2ccc(F)cc2Br)n1
InChIInChI=1S/C12H12BrFN4O/c1-6-11(18-15)16-7(2)17-12(6)19-10-4-3-8(14)5-9(10)13/h3-5H,15H2,1-2H3,(H,16,17,18)
InChIKeyPCTLECZKJVDXIL-UHFFFAOYSA-N
XLogP3.07
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.16
LogP ≤ 53.07
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 [6-(2-bromo-4-fluorophenoxy)-2,5-dimethylpyrimidin-4-yl]hydrazine?
The IUPAC name of [6-(2-bromo-4-fluorophenoxy)-2,5-dimethylpyrimidin-4-yl]hydrazine (CID 80918081) is [6-(2-bromo-4-fluorophenoxy)-2,5-dimethylpyrimidin-4-yl]hydrazine.
What is the SMILES notation for [6-(2-bromo-4-fluorophenoxy)-2,5-dimethylpyrimidin-4-yl]hydrazine?
The canonical SMILES for [6-(2-bromo-4-fluorophenoxy)-2,5-dimethylpyrimidin-4-yl]hydrazine is Cc1nc(NN)c(C)c(Oc2ccc(F)cc2Br)n1.
What is the InChIKey of [6-(2-bromo-4-fluorophenoxy)-2,5-dimethylpyrimidin-4-yl]hydrazine?
The InChIKey is PCTLECZKJVDXIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrFN4O/c1-6-11(18-15)16-7(2)17-12(6)19-10-4-3-8(14)5-9(10)13/h3-5H,15H2,1-2H3,(H,16,17,18).
What are the key properties of [6-(2-bromo-4-fluorophenoxy)-2,5-dimethylpyrimidin-4-yl]hydrazine?
[6-(2-bromo-4-fluorophenoxy)-2,5-dimethylpyrimidin-4-yl]hydrazine has a molecular weight of 327.16 g/mol, XLogP of 3.07, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2-bromo-4-fluorophenoxy)-2,5-dimethylpyrimidin-4-yl]hydrazine is sourced from PubChem (CID 80918081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).