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

C6H7F3N4S — CID 106776579

IUPAC[6-methylsulfanyl-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
SMILESCSc1cc(NN)nc(C(F)(F)F)n1
InChIInChI=1S/C6H7F3N4S/c1-14-4-2-3(13-10)11-5(12-4)6(7,8)9/h2H,10H2,1H3,(H,11,12,13)
InChIKeyKSCOEVGZVCVNMI-UHFFFAOYSA-N
MW224.21 g/mol
LogP1.50
Rot. Bonds2

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

[6-methylsulfanyl-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine (PubChem CID 106776579) has the molecular formula C6H7F3N4S and a molecular weight of 224.21 g/mol. Its IUPAC name is [6-methylsulfanyl-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[6-methylsulfanyl-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
PubChem CID106776579
Molecular FormulaC6H7F3N4S
Molecular Weight224.21 g/mol
Exact Mass224.03
IUPAC Name[6-methylsulfanyl-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
SMILESCSc1cc(NN)nc(C(F)(F)F)n1
InChIInChI=1S/C6H7F3N4S/c1-14-4-2-3(13-10)11-5(12-4)6(7,8)9/h2H,10H2,1H3,(H,11,12,13)
InChIKeyKSCOEVGZVCVNMI-UHFFFAOYSA-N
XLogP1.50
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.21
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-methylsulfanyl-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine?
The IUPAC name of [6-methylsulfanyl-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine (CID 106776579) is [6-methylsulfanyl-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [6-methylsulfanyl-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine?
The canonical SMILES for [6-methylsulfanyl-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine is CSc1cc(NN)nc(C(F)(F)F)n1.
What is the InChIKey of [6-methylsulfanyl-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine?
The InChIKey is KSCOEVGZVCVNMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3N4S/c1-14-4-2-3(13-10)11-5(12-4)6(7,8)9/h2H,10H2,1H3,(H,11,12,13).
What are the key properties of [6-methylsulfanyl-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine?
[6-methylsulfanyl-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine has a molecular weight of 224.21 g/mol, XLogP of 1.50, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-methylsulfanyl-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 106776579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).