[6-(2-fluorophenoxy)-2-methylsulfanylpyrimidin-4-yl]hydrazine

C11H11FN4OS — CID 80915741

IUPAC[6-(2-fluorophenoxy)-2-methylsulfanylpyrimidin-4-yl]hydrazine
SMILESCSc1nc(NN)cc(Oc2ccccc2F)n1
InChIInChI=1S/C11H11FN4OS/c1-18-11-14-9(16-13)6-10(15-11)17-8-5-3-2-4-7(8)12/h2-6H,13H2,1H3,(H,14,15,16)
InChIKeyMUMCXBIRXSKSPY-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.42
Rot. Bonds4

About [6-(2-fluorophenoxy)-2-methylsulfanylpyrimidin-4-yl]hydrazine

[6-(2-fluorophenoxy)-2-methylsulfanylpyrimidin-4-yl]hydrazine (PubChem CID 80915741) has the molecular formula C11H11FN4OS and a molecular weight of 266.30 g/mol. Its IUPAC name is [6-(2-fluorophenoxy)-2-methylsulfanylpyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[6-(2-fluorophenoxy)-2-methylsulfanylpyrimidin-4-yl]hydrazine
PubChem CID80915741
Molecular FormulaC11H11FN4OS
Molecular Weight266.30 g/mol
Exact Mass266.06
IUPAC Name[6-(2-fluorophenoxy)-2-methylsulfanylpyrimidin-4-yl]hydrazine
SMILESCSc1nc(NN)cc(Oc2ccccc2F)n1
InChIInChI=1S/C11H11FN4OS/c1-18-11-14-9(16-13)6-10(15-11)17-8-5-3-2-4-7(8)12/h2-6H,13H2,1H3,(H,14,15,16)
InChIKeyMUMCXBIRXSKSPY-UHFFFAOYSA-N
XLogP2.42
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.42
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'}

Analyze [6-(2-fluorophenoxy)-2-methylsulfanylpyrimidin-4-yl]hydrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [6-(2-fluorophenoxy)-2-methylsulfanylpyrimidin-4-yl]hydrazine?
The IUPAC name of [6-(2-fluorophenoxy)-2-methylsulfanylpyrimidin-4-yl]hydrazine (CID 80915741) is [6-(2-fluorophenoxy)-2-methylsulfanylpyrimidin-4-yl]hydrazine.
What is the SMILES notation for [6-(2-fluorophenoxy)-2-methylsulfanylpyrimidin-4-yl]hydrazine?
The canonical SMILES for [6-(2-fluorophenoxy)-2-methylsulfanylpyrimidin-4-yl]hydrazine is CSc1nc(NN)cc(Oc2ccccc2F)n1.
What is the InChIKey of [6-(2-fluorophenoxy)-2-methylsulfanylpyrimidin-4-yl]hydrazine?
The InChIKey is MUMCXBIRXSKSPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN4OS/c1-18-11-14-9(16-13)6-10(15-11)17-8-5-3-2-4-7(8)12/h2-6H,13H2,1H3,(H,14,15,16).
What are the key properties of [6-(2-fluorophenoxy)-2-methylsulfanylpyrimidin-4-yl]hydrazine?
[6-(2-fluorophenoxy)-2-methylsulfanylpyrimidin-4-yl]hydrazine has a molecular weight of 266.30 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2-fluorophenoxy)-2-methylsulfanylpyrimidin-4-yl]hydrazine is sourced from PubChem (CID 80915741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).