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

C13H14BrFN4O — CID 80917689

IUPAC[6-(2-bromo-4-fluorophenoxy)-5-propylpyrimidin-4-yl]hydrazine
SMILESCCCc1c(NN)ncnc1Oc1ccc(F)cc1Br
InChIInChI=1S/C13H14BrFN4O/c1-2-3-9-12(19-16)17-7-18-13(9)20-11-5-4-8(15)6-10(11)14/h4-7H,2-3,16H2,1H3,(H,17,18,19)
InChIKeyGDYKGRJTEYMAHW-UHFFFAOYSA-N
MW341.18 g/mol
LogP3.41
Rot. Bonds5

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

[6-(2-bromo-4-fluorophenoxy)-5-propylpyrimidin-4-yl]hydrazine (PubChem CID 80917689) has the molecular formula C13H14BrFN4O and a molecular weight of 341.18 g/mol. Its IUPAC name is [6-(2-bromo-4-fluorophenoxy)-5-propylpyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[6-(2-bromo-4-fluorophenoxy)-5-propylpyrimidin-4-yl]hydrazine
PubChem CID80917689
Molecular FormulaC13H14BrFN4O
Molecular Weight341.18 g/mol
Exact Mass340.03
IUPAC Name[6-(2-bromo-4-fluorophenoxy)-5-propylpyrimidin-4-yl]hydrazine
SMILESCCCc1c(NN)ncnc1Oc1ccc(F)cc1Br
InChIInChI=1S/C13H14BrFN4O/c1-2-3-9-12(19-16)17-7-18-13(9)20-11-5-4-8(15)6-10(11)14/h4-7H,2-3,16H2,1H3,(H,17,18,19)
InChIKeyGDYKGRJTEYMAHW-UHFFFAOYSA-N
XLogP3.41
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.18
LogP ≤ 53.41
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

6-(2-bromo-4-fluorophenoxy)-N-ethyl-5-methylpyrimidin-4-amine
CID 80862655
[6-(4-bromophenoxy)-5-propylpyrimidin-4-yl]hydrazine
CID 80915894
6-(2-chloro-4-fluorophenoxy)-N-ethyl-5-propylpyrimidin-4-amine
CID 80864915
6-(2-bromo-4-methylphenoxy)-N-methyl-5-propylpyrimidin-4-amine
CID 80860005
[6-(2-chloro-4-methylphenoxy)-5-propylpyrimidin-4-yl]hydrazine
CID 80930789
[5-ethyl-6-(5-fluoro-2-methylphenoxy)pyrimidin-4-yl]hydrazine
CID 102989646
[6-(2-chloro-5-methylphenoxy)-5-propylpyrimidin-4-yl]hydrazine
CID 80917240
3-(6-hydrazinyl-5-propylpyrimidin-4-yl)oxy-4-methylbenzonitrile
CID 107662865
6-(2-bromo-4-methoxyphenoxy)-5-propylpyrimidin-4-amine
CID 104708785
2-[4-(6-hydrazinyl-5-propylpyrimidin-4-yl)oxyphenyl]ethanol
CID 107710356
N-(4-fluorophenyl)-6-hydrazinyl-N-methyl-5-propylpyrimidin-4-amine
CID 80908843
N-(5-bromo-2-methoxyphenyl)-6-hydrazinyl-5-propylpyrimidin-4-amine
CID 80902077

Frequently Asked Questions

What is the IUPAC name of [6-(2-bromo-4-fluorophenoxy)-5-propylpyrimidin-4-yl]hydrazine?
The IUPAC name of [6-(2-bromo-4-fluorophenoxy)-5-propylpyrimidin-4-yl]hydrazine (CID 80917689) is [6-(2-bromo-4-fluorophenoxy)-5-propylpyrimidin-4-yl]hydrazine.
What is the SMILES notation for [6-(2-bromo-4-fluorophenoxy)-5-propylpyrimidin-4-yl]hydrazine?
The canonical SMILES for [6-(2-bromo-4-fluorophenoxy)-5-propylpyrimidin-4-yl]hydrazine is CCCc1c(NN)ncnc1Oc1ccc(F)cc1Br.
What is the InChIKey of [6-(2-bromo-4-fluorophenoxy)-5-propylpyrimidin-4-yl]hydrazine?
The InChIKey is GDYKGRJTEYMAHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrFN4O/c1-2-3-9-12(19-16)17-7-18-13(9)20-11-5-4-8(15)6-10(11)14/h4-7H,2-3,16H2,1H3,(H,17,18,19).
What are the key properties of [6-(2-bromo-4-fluorophenoxy)-5-propylpyrimidin-4-yl]hydrazine?
[6-(2-bromo-4-fluorophenoxy)-5-propylpyrimidin-4-yl]hydrazine has a molecular weight of 341.18 g/mol, XLogP of 3.41, 5 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)-5-propylpyrimidin-4-yl]hydrazine is sourced from PubChem (CID 80917689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).