[6-(2-methoxyethylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine

C8H11F3N4OS — CID 106776559

IUPAC[6-(2-methoxyethylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
SMILESCOCCSc1cc(NN)nc(C(F)(F)F)n1
InChIInChI=1S/C8H11F3N4OS/c1-16-2-3-17-6-4-5(15-12)13-7(14-6)8(9,10)11/h4H,2-3,12H2,1H3,(H,13,14,15)
InChIKeyZLKNEBXRIZCZNR-UHFFFAOYSA-N
MW268.26 g/mol
LogP1.52
Rot. Bonds5

About [6-(2-methoxyethylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine

[6-(2-methoxyethylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine (PubChem CID 106776559) has the molecular formula C8H11F3N4OS and a molecular weight of 268.26 g/mol. Its IUPAC name is [6-(2-methoxyethylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[6-(2-methoxyethylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
PubChem CID106776559
Molecular FormulaC8H11F3N4OS
Molecular Weight268.26 g/mol
Exact Mass268.06
IUPAC Name[6-(2-methoxyethylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
SMILESCOCCSc1cc(NN)nc(C(F)(F)F)n1
InChIInChI=1S/C8H11F3N4OS/c1-16-2-3-17-6-4-5(15-12)13-7(14-6)8(9,10)11/h4H,2-3,12H2,1H3,(H,13,14,15)
InChIKeyZLKNEBXRIZCZNR-UHFFFAOYSA-N
XLogP1.52
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.26
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-methoxyethylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine?
The IUPAC name of [6-(2-methoxyethylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine (CID 106776559) is [6-(2-methoxyethylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [6-(2-methoxyethylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine?
The canonical SMILES for [6-(2-methoxyethylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine is COCCSc1cc(NN)nc(C(F)(F)F)n1.
What is the InChIKey of [6-(2-methoxyethylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine?
The InChIKey is ZLKNEBXRIZCZNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N4OS/c1-16-2-3-17-6-4-5(15-12)13-7(14-6)8(9,10)11/h4H,2-3,12H2,1H3,(H,13,14,15).
What are the key properties of [6-(2-methoxyethylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine?
[6-(2-methoxyethylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine has a molecular weight of 268.26 g/mol, XLogP of 1.52, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2-methoxyethylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 106776559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).