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

C8H11F3N4O2S2 — CID 106776506

IUPAC[6-(2-methylsulfonylethylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
SMILESCS(=O)(=O)CCSc1cc(NN)nc(C(F)(F)F)n1
InChIInChI=1S/C8H11F3N4O2S2/c1-19(16,17)3-2-18-6-4-5(15-12)13-7(14-6)8(9,10)11/h4H,2-3,12H2,1H3,(H,13,14,15)
InChIKeyDNOMPKYRLFQBJQ-UHFFFAOYSA-N
MW316.33 g/mol
LogP0.92
Rot. Bonds5

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

[6-(2-methylsulfonylethylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine (PubChem CID 106776506) has the molecular formula C8H11F3N4O2S2 and a molecular weight of 316.33 g/mol. Its IUPAC name is [6-(2-methylsulfonylethylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[6-(2-methylsulfonylethylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
PubChem CID106776506
Molecular FormulaC8H11F3N4O2S2
Molecular Weight316.33 g/mol
Exact Mass316.03
IUPAC Name[6-(2-methylsulfonylethylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
SMILESCS(=O)(=O)CCSc1cc(NN)nc(C(F)(F)F)n1
InChIInChI=1S/C8H11F3N4O2S2/c1-19(16,17)3-2-18-6-4-5(15-12)13-7(14-6)8(9,10)11/h4H,2-3,12H2,1H3,(H,13,14,15)
InChIKeyDNOMPKYRLFQBJQ-UHFFFAOYSA-N
XLogP0.92
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.33
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-methylsulfonylethylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine?
The IUPAC name of [6-(2-methylsulfonylethylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine (CID 106776506) is [6-(2-methylsulfonylethylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [6-(2-methylsulfonylethylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine?
The canonical SMILES for [6-(2-methylsulfonylethylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine is CS(=O)(=O)CCSc1cc(NN)nc(C(F)(F)F)n1.
What is the InChIKey of [6-(2-methylsulfonylethylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine?
The InChIKey is DNOMPKYRLFQBJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N4O2S2/c1-19(16,17)3-2-18-6-4-5(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-methylsulfonylethylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine?
[6-(2-methylsulfonylethylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine has a molecular weight of 316.33 g/mol, XLogP of 0.92, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2-methylsulfonylethylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 106776506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).