[2-methylsulfanyl-6-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyrimidin-4-yl]hydrazine

C11H10F3N5S2 — CID 80920019

IUPAC[2-methylsulfanyl-6-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyrimidin-4-yl]hydrazine
SMILESCSc1nc(NN)cc(Sc2ccc(C(F)(F)F)cn2)n1
InChIInChI=1S/C11H10F3N5S2/c1-20-10-17-7(19-15)4-9(18-10)21-8-3-2-6(5-16-8)11(12,13)14/h2-5H,15H2,1H3,(H,17,18,19)
InChIKeyXHHIJFYRMUJTPU-UHFFFAOYSA-N
MW333.36 g/mol
LogP3.05
Rot. Bonds4

About [2-methylsulfanyl-6-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyrimidin-4-yl]hydrazine

[2-methylsulfanyl-6-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyrimidin-4-yl]hydrazine (PubChem CID 80920019) has the molecular formula C11H10F3N5S2 and a molecular weight of 333.36 g/mol. Its IUPAC name is [2-methylsulfanyl-6-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[2-methylsulfanyl-6-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyrimidin-4-yl]hydrazine
PubChem CID80920019
Molecular FormulaC11H10F3N5S2
Molecular Weight333.36 g/mol
Exact Mass333.03
IUPAC Name[2-methylsulfanyl-6-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyrimidin-4-yl]hydrazine
SMILESCSc1nc(NN)cc(Sc2ccc(C(F)(F)F)cn2)n1
InChIInChI=1S/C11H10F3N5S2/c1-20-10-17-7(19-15)4-9(18-10)21-8-3-2-6(5-16-8)11(12,13)14/h2-5H,15H2,1H3,(H,17,18,19)
InChIKeyXHHIJFYRMUJTPU-UHFFFAOYSA-N
XLogP3.05
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.36
LogP ≤ 53.05
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 [2-methylsulfanyl-6-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyrimidin-4-yl]hydrazine?
The IUPAC name of [2-methylsulfanyl-6-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyrimidin-4-yl]hydrazine (CID 80920019) is [2-methylsulfanyl-6-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [2-methylsulfanyl-6-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyrimidin-4-yl]hydrazine?
The canonical SMILES for [2-methylsulfanyl-6-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyrimidin-4-yl]hydrazine is CSc1nc(NN)cc(Sc2ccc(C(F)(F)F)cn2)n1.
What is the InChIKey of [2-methylsulfanyl-6-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyrimidin-4-yl]hydrazine?
The InChIKey is XHHIJFYRMUJTPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N5S2/c1-20-10-17-7(19-15)4-9(18-10)21-8-3-2-6(5-16-8)11(12,13)14/h2-5H,15H2,1H3,(H,17,18,19).
What are the key properties of [2-methylsulfanyl-6-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyrimidin-4-yl]hydrazine?
[2-methylsulfanyl-6-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyrimidin-4-yl]hydrazine has a molecular weight of 333.36 g/mol, XLogP of 3.05, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methylsulfanyl-6-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 80920019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).