[6-(2,3-difluorophenoxy)-2-methylsulfanylpyrimidin-4-yl]hydrazine

C11H10F2N4OS — CID 80925524

IUPAC[6-(2,3-difluorophenoxy)-2-methylsulfanylpyrimidin-4-yl]hydrazine
SMILESCSc1nc(NN)cc(Oc2cccc(F)c2F)n1
InChIInChI=1S/C11H10F2N4OS/c1-19-11-15-8(17-14)5-9(16-11)18-7-4-2-3-6(12)10(7)13/h2-5H,14H2,1H3,(H,15,16,17)
InChIKeyVFBKEDNJCGTXIA-UHFFFAOYSA-N
MW284.29 g/mol
LogP2.55
Rot. Bonds4

About [6-(2,3-difluorophenoxy)-2-methylsulfanylpyrimidin-4-yl]hydrazine

[6-(2,3-difluorophenoxy)-2-methylsulfanylpyrimidin-4-yl]hydrazine (PubChem CID 80925524) has the molecular formula C11H10F2N4OS and a molecular weight of 284.29 g/mol. Its IUPAC name is [6-(2,3-difluorophenoxy)-2-methylsulfanylpyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[6-(2,3-difluorophenoxy)-2-methylsulfanylpyrimidin-4-yl]hydrazine
PubChem CID80925524
Molecular FormulaC11H10F2N4OS
Molecular Weight284.29 g/mol
Exact Mass284.05
IUPAC Name[6-(2,3-difluorophenoxy)-2-methylsulfanylpyrimidin-4-yl]hydrazine
SMILESCSc1nc(NN)cc(Oc2cccc(F)c2F)n1
InChIInChI=1S/C11H10F2N4OS/c1-19-11-15-8(17-14)5-9(16-11)18-7-4-2-3-6(12)10(7)13/h2-5H,14H2,1H3,(H,15,16,17)
InChIKeyVFBKEDNJCGTXIA-UHFFFAOYSA-N
XLogP2.55
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-(2,3-difluorophenoxy)-2-methylsulfanylpyrimidin-4-yl]hydrazine?
The IUPAC name of [6-(2,3-difluorophenoxy)-2-methylsulfanylpyrimidin-4-yl]hydrazine (CID 80925524) is [6-(2,3-difluorophenoxy)-2-methylsulfanylpyrimidin-4-yl]hydrazine.
What is the SMILES notation for [6-(2,3-difluorophenoxy)-2-methylsulfanylpyrimidin-4-yl]hydrazine?
The canonical SMILES for [6-(2,3-difluorophenoxy)-2-methylsulfanylpyrimidin-4-yl]hydrazine is CSc1nc(NN)cc(Oc2cccc(F)c2F)n1.
What is the InChIKey of [6-(2,3-difluorophenoxy)-2-methylsulfanylpyrimidin-4-yl]hydrazine?
The InChIKey is VFBKEDNJCGTXIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2N4OS/c1-19-11-15-8(17-14)5-9(16-11)18-7-4-2-3-6(12)10(7)13/h2-5H,14H2,1H3,(H,15,16,17).
What are the key properties of [6-(2,3-difluorophenoxy)-2-methylsulfanylpyrimidin-4-yl]hydrazine?
[6-(2,3-difluorophenoxy)-2-methylsulfanylpyrimidin-4-yl]hydrazine has a molecular weight of 284.29 g/mol, XLogP of 2.55, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2,3-difluorophenoxy)-2-methylsulfanylpyrimidin-4-yl]hydrazine is sourced from PubChem (CID 80925524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).