[2-methylsulfanyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-yl]hydrazine

C11H16F3N5S — CID 80924868

IUPAC[2-methylsulfanyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-yl]hydrazine
SMILESCSc1nc(NN)cc(N2CCC(C(F)(F)F)CC2)n1
InChIInChI=1S/C11H16F3N5S/c1-20-10-16-8(18-15)6-9(17-10)19-4-2-7(3-5-19)11(12,13)14/h6-7H,2-5,15H2,1H3,(H,16,17,18)
InChIKeyJQFKPGHCSQLUDN-UHFFFAOYSA-N
MW307.35 g/mol
LogP2.26
Rot. Bonds3

About [2-methylsulfanyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-yl]hydrazine

[2-methylsulfanyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-yl]hydrazine (PubChem CID 80924868) has the molecular formula C11H16F3N5S and a molecular weight of 307.35 g/mol. Its IUPAC name is [2-methylsulfanyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[2-methylsulfanyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-yl]hydrazine
PubChem CID80924868
Molecular FormulaC11H16F3N5S
Molecular Weight307.35 g/mol
Exact Mass307.11
IUPAC Name[2-methylsulfanyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-yl]hydrazine
SMILESCSc1nc(NN)cc(N2CCC(C(F)(F)F)CC2)n1
InChIInChI=1S/C11H16F3N5S/c1-20-10-16-8(18-15)6-9(17-10)19-4-2-7(3-5-19)11(12,13)14/h6-7H,2-5,15H2,1H3,(H,16,17,18)
InChIKeyJQFKPGHCSQLUDN-UHFFFAOYSA-N
XLogP2.26
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 52.26
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 [2-methylsulfanyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-yl]hydrazine?
The IUPAC name of [2-methylsulfanyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-yl]hydrazine (CID 80924868) is [2-methylsulfanyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [2-methylsulfanyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-yl]hydrazine?
The canonical SMILES for [2-methylsulfanyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-yl]hydrazine is CSc1nc(NN)cc(N2CCC(C(F)(F)F)CC2)n1.
What is the InChIKey of [2-methylsulfanyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-yl]hydrazine?
The InChIKey is JQFKPGHCSQLUDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N5S/c1-20-10-16-8(18-15)6-9(17-10)19-4-2-7(3-5-19)11(12,13)14/h6-7H,2-5,15H2,1H3,(H,16,17,18).
What are the key properties of [2-methylsulfanyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-yl]hydrazine?
[2-methylsulfanyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-yl]hydrazine has a molecular weight of 307.35 g/mol, XLogP of 2.26, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methylsulfanyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 80924868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).