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

C9H13F3N4S — CID 106776523

IUPAC[6-(2-methylpropylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
SMILESCC(C)CSc1cc(NN)nc(C(F)(F)F)n1
InChIInChI=1S/C9H13F3N4S/c1-5(2)4-17-7-3-6(16-13)14-8(15-7)9(10,11)12/h3,5H,4,13H2,1-2H3,(H,14,15,16)
InChIKeyUJQLQDJRHRZFPG-UHFFFAOYSA-N
MW266.29 g/mol
LogP2.53
Rot. Bonds4

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

[6-(2-methylpropylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine (PubChem CID 106776523) has the molecular formula C9H13F3N4S and a molecular weight of 266.29 g/mol. Its IUPAC name is [6-(2-methylpropylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[6-(2-methylpropylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
PubChem CID106776523
Molecular FormulaC9H13F3N4S
Molecular Weight266.29 g/mol
Exact Mass266.08
IUPAC Name[6-(2-methylpropylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
SMILESCC(C)CSc1cc(NN)nc(C(F)(F)F)n1
InChIInChI=1S/C9H13F3N4S/c1-5(2)4-17-7-3-6(16-13)14-8(15-7)9(10,11)12/h3,5H,4,13H2,1-2H3,(H,14,15,16)
InChIKeyUJQLQDJRHRZFPG-UHFFFAOYSA-N
XLogP2.53
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.29
LogP ≤ 52.53
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-(2-methylpropylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine?
The IUPAC name of [6-(2-methylpropylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine (CID 106776523) is [6-(2-methylpropylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [6-(2-methylpropylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine?
The canonical SMILES for [6-(2-methylpropylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine is CC(C)CSc1cc(NN)nc(C(F)(F)F)n1.
What is the InChIKey of [6-(2-methylpropylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine?
The InChIKey is UJQLQDJRHRZFPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N4S/c1-5(2)4-17-7-3-6(16-13)14-8(15-7)9(10,11)12/h3,5H,4,13H2,1-2H3,(H,14,15,16).
What are the key properties of [6-(2-methylpropylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine?
[6-(2-methylpropylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine has a molecular weight of 266.29 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2-methylpropylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 106776523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).