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

C18H14F4N4O2S — CID 10387736

IUPAC[5-(4-fluorophenyl)-6-(4-methylsulfonylphenyl)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
SMILESCS(=O)(=O)c1ccc(-c2nc(C(F)(F)F)nc(NN)c2-c2ccc(F)cc2)cc1
InChIInChI=1S/C18H14F4N4O2S/c1-29(27,28)13-8-4-11(5-9-13)15-14(10-2-6-12(19)7-3-10)16(26-23)25-17(24-15)18(20,21)22/h2-9H,23H2,1H3,(H,24,25,26)
InChIKeyKDVITUJVZPFMRY-UHFFFAOYSA-N
MW426.40 g/mol
LogP3.66
Rot. Bonds4

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

[5-(4-fluorophenyl)-6-(4-methylsulfonylphenyl)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine (PubChem CID 10387736) has the molecular formula C18H14F4N4O2S and a molecular weight of 426.40 g/mol. Its IUPAC name is [5-(4-fluorophenyl)-6-(4-methylsulfonylphenyl)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[5-(4-fluorophenyl)-6-(4-methylsulfonylphenyl)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
PubChem CID10387736
Molecular FormulaC18H14F4N4O2S
Molecular Weight426.40 g/mol
Exact Mass426.08
IUPAC Name[5-(4-fluorophenyl)-6-(4-methylsulfonylphenyl)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
SMILESCS(=O)(=O)c1ccc(-c2nc(C(F)(F)F)nc(NN)c2-c2ccc(F)cc2)cc1
InChIInChI=1S/C18H14F4N4O2S/c1-29(27,28)13-8-4-11(5-9-13)15-14(10-2-6-12(19)7-3-10)16(26-23)25-17(24-15)18(20,21)22/h2-9H,23H2,1H3,(H,24,25,26)
InChIKeyKDVITUJVZPFMRY-UHFFFAOYSA-N
XLogP3.66
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.40
LogP ≤ 53.66
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 [5-(4-fluorophenyl)-6-(4-methylsulfonylphenyl)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine?
The IUPAC name of [5-(4-fluorophenyl)-6-(4-methylsulfonylphenyl)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine (CID 10387736) is [5-(4-fluorophenyl)-6-(4-methylsulfonylphenyl)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [5-(4-fluorophenyl)-6-(4-methylsulfonylphenyl)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine?
The canonical SMILES for [5-(4-fluorophenyl)-6-(4-methylsulfonylphenyl)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine is CS(=O)(=O)c1ccc(-c2nc(C(F)(F)F)nc(NN)c2-c2ccc(F)cc2)cc1.
What is the InChIKey of [5-(4-fluorophenyl)-6-(4-methylsulfonylphenyl)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine?
The InChIKey is KDVITUJVZPFMRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F4N4O2S/c1-29(27,28)13-8-4-11(5-9-13)15-14(10-2-6-12(19)7-3-10)16(26-23)25-17(24-15)18(20,21)22/h2-9H,23H2,1H3,(H,24,25,26).
What are the key properties of [5-(4-fluorophenyl)-6-(4-methylsulfonylphenyl)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine?
[5-(4-fluorophenyl)-6-(4-methylsulfonylphenyl)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine has a molecular weight of 426.40 g/mol, XLogP of 3.66, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-fluorophenyl)-6-(4-methylsulfonylphenyl)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 10387736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).