[6-(4-bromo-3-fluorophenoxy)-2,5-dimethylpyrimidin-4-yl]hydrazine

C12H12BrFN4O — CID 80921981

IUPAC[6-(4-bromo-3-fluorophenoxy)-2,5-dimethylpyrimidin-4-yl]hydrazine
SMILESCc1nc(NN)c(C)c(Oc2ccc(Br)c(F)c2)n1
InChIInChI=1S/C12H12BrFN4O/c1-6-11(18-15)16-7(2)17-12(6)19-8-3-4-9(13)10(14)5-8/h3-5H,15H2,1-2H3,(H,16,17,18)
InChIKeyDGTKPGCCGXBCGB-UHFFFAOYSA-N
MW327.16 g/mol
LogP3.07
Rot. Bonds3

About [6-(4-bromo-3-fluorophenoxy)-2,5-dimethylpyrimidin-4-yl]hydrazine

[6-(4-bromo-3-fluorophenoxy)-2,5-dimethylpyrimidin-4-yl]hydrazine (PubChem CID 80921981) has the molecular formula C12H12BrFN4O and a molecular weight of 327.16 g/mol. Its IUPAC name is [6-(4-bromo-3-fluorophenoxy)-2,5-dimethylpyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[6-(4-bromo-3-fluorophenoxy)-2,5-dimethylpyrimidin-4-yl]hydrazine
PubChem CID80921981
Molecular FormulaC12H12BrFN4O
Molecular Weight327.16 g/mol
Exact Mass326.02
IUPAC Name[6-(4-bromo-3-fluorophenoxy)-2,5-dimethylpyrimidin-4-yl]hydrazine
SMILESCc1nc(NN)c(C)c(Oc2ccc(Br)c(F)c2)n1
InChIInChI=1S/C12H12BrFN4O/c1-6-11(18-15)16-7(2)17-12(6)19-8-3-4-9(13)10(14)5-8/h3-5H,15H2,1-2H3,(H,16,17,18)
InChIKeyDGTKPGCCGXBCGB-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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Related Compounds

[2,5-dimethyl-6-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pyrimidin-4-yl]hydrazine
CID 80920615
[6-(5-bromo-2-methylphenoxy)-2,5-dimethylpyrimidin-4-yl]hydrazine
CID 107287696
6-(4-bromo-3-methylphenoxy)-2,5-dimethylpyrimidin-4-amine
CID 83134293
6-(4-chloro-3-fluorophenoxy)-2,5-dimethyl-N-propylpyrimidin-4-amine
CID 82717795
6-(4-bromo-3-fluorophenoxy)-5-methylpyridin-3-amine
CID 65203527
4-chloro-6-(4-chloro-3-fluorophenoxy)-2,5-dimethylpyrimidine
CID 82716251
(6-methoxy-2,5-dimethylpyrimidin-4-yl)hydrazine
CID 55280081
[4-(4-bromo-3-fluorophenoxy)-6-propan-2-yloxy-1,3,5-triazin-2-yl]hydrazine
CID 80925336
4-(4-bromo-3-fluorophenoxy)-6-hydrazinyl-N,N-dimethyl-1,3,5-triazin-2-amine
CID 80921724
[6-(2,5-dimethylpyrazol-3-yl)oxy-2,5-dimethylpyrimidin-4-yl]hydrazine
CID 81345795
2-(4-bromo-3-fluorophenoxy)-3,5-difluoropyridine
CID 112675508
[4-(3-bromo-4-fluorophenoxy)-5-methylpyrimidin-2-yl]hydrazine
CID 83237844

Frequently Asked Questions

What is the IUPAC name of [6-(4-bromo-3-fluorophenoxy)-2,5-dimethylpyrimidin-4-yl]hydrazine?
The IUPAC name of [6-(4-bromo-3-fluorophenoxy)-2,5-dimethylpyrimidin-4-yl]hydrazine (CID 80921981) is [6-(4-bromo-3-fluorophenoxy)-2,5-dimethylpyrimidin-4-yl]hydrazine.
What is the SMILES notation for [6-(4-bromo-3-fluorophenoxy)-2,5-dimethylpyrimidin-4-yl]hydrazine?
The canonical SMILES for [6-(4-bromo-3-fluorophenoxy)-2,5-dimethylpyrimidin-4-yl]hydrazine is Cc1nc(NN)c(C)c(Oc2ccc(Br)c(F)c2)n1.
What is the InChIKey of [6-(4-bromo-3-fluorophenoxy)-2,5-dimethylpyrimidin-4-yl]hydrazine?
The InChIKey is DGTKPGCCGXBCGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrFN4O/c1-6-11(18-15)16-7(2)17-12(6)19-8-3-4-9(13)10(14)5-8/h3-5H,15H2,1-2H3,(H,16,17,18).
What are the key properties of [6-(4-bromo-3-fluorophenoxy)-2,5-dimethylpyrimidin-4-yl]hydrazine?
[6-(4-bromo-3-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-(4-bromo-3-fluorophenoxy)-2,5-dimethylpyrimidin-4-yl]hydrazine is sourced from PubChem (CID 80921981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).