[6-(4-methylsulfonylphenyl)-5-phenyl-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine

C18H15F3N4O2S — CID 10319265

IUPAC[6-(4-methylsulfonylphenyl)-5-phenyl-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
SMILESCS(=O)(=O)c1ccc(-c2nc(C(F)(F)F)nc(NN)c2-c2ccccc2)cc1
InChIInChI=1S/C18H15F3N4O2S/c1-28(26,27)13-9-7-12(8-10-13)15-14(11-5-3-2-4-6-11)16(25-22)24-17(23-15)18(19,20)21/h2-10H,22H2,1H3,(H,23,24,25)
InChIKeyLYQBEZGFPZWTCJ-UHFFFAOYSA-N
MW408.41 g/mol
LogP3.52
Rot. Bonds4

About [6-(4-methylsulfonylphenyl)-5-phenyl-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine

[6-(4-methylsulfonylphenyl)-5-phenyl-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine (PubChem CID 10319265) has the molecular formula C18H15F3N4O2S and a molecular weight of 408.41 g/mol. Its IUPAC name is [6-(4-methylsulfonylphenyl)-5-phenyl-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[6-(4-methylsulfonylphenyl)-5-phenyl-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
PubChem CID10319265
Molecular FormulaC18H15F3N4O2S
Molecular Weight408.41 g/mol
Exact Mass408.09
IUPAC Name[6-(4-methylsulfonylphenyl)-5-phenyl-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
SMILESCS(=O)(=O)c1ccc(-c2nc(C(F)(F)F)nc(NN)c2-c2ccccc2)cc1
InChIInChI=1S/C18H15F3N4O2S/c1-28(26,27)13-9-7-12(8-10-13)15-14(11-5-3-2-4-6-11)16(25-22)24-17(23-15)18(19,20)21/h2-10H,22H2,1H3,(H,23,24,25)
InChIKeyLYQBEZGFPZWTCJ-UHFFFAOYSA-N
XLogP3.52
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.41
LogP ≤ 53.52
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-(4-methylsulfonylphenyl)-5-phenyl-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine?
The IUPAC name of [6-(4-methylsulfonylphenyl)-5-phenyl-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine (CID 10319265) is [6-(4-methylsulfonylphenyl)-5-phenyl-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [6-(4-methylsulfonylphenyl)-5-phenyl-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine?
The canonical SMILES for [6-(4-methylsulfonylphenyl)-5-phenyl-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine is CS(=O)(=O)c1ccc(-c2nc(C(F)(F)F)nc(NN)c2-c2ccccc2)cc1.
What is the InChIKey of [6-(4-methylsulfonylphenyl)-5-phenyl-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine?
The InChIKey is LYQBEZGFPZWTCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N4O2S/c1-28(26,27)13-9-7-12(8-10-13)15-14(11-5-3-2-4-6-11)16(25-22)24-17(23-15)18(19,20)21/h2-10H,22H2,1H3,(H,23,24,25).
What are the key properties of [6-(4-methylsulfonylphenyl)-5-phenyl-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine?
[6-(4-methylsulfonylphenyl)-5-phenyl-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine has a molecular weight of 408.41 g/mol, XLogP of 3.52, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(4-methylsulfonylphenyl)-5-phenyl-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 10319265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).