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

C9H13F3N4S — CID 106776530

IUPAC[6-butan-2-ylsulfanyl-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
SMILESCCC(C)Sc1cc(NN)nc(C(F)(F)F)n1
InChIInChI=1S/C9H13F3N4S/c1-3-5(2)17-7-4-6(16-13)14-8(15-7)9(10,11)12/h4-5H,3,13H2,1-2H3,(H,14,15,16)
InChIKeyNXANNNNEJNLPMH-UHFFFAOYSA-N
MW266.29 g/mol
LogP2.67
Rot. Bonds4

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

[6-butan-2-ylsulfanyl-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine (PubChem CID 106776530) has the molecular formula C9H13F3N4S and a molecular weight of 266.29 g/mol. Its IUPAC name is [6-butan-2-ylsulfanyl-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[6-butan-2-ylsulfanyl-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
PubChem CID106776530
Molecular FormulaC9H13F3N4S
Molecular Weight266.29 g/mol
Exact Mass266.08
IUPAC Name[6-butan-2-ylsulfanyl-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
SMILESCCC(C)Sc1cc(NN)nc(C(F)(F)F)n1
InChIInChI=1S/C9H13F3N4S/c1-3-5(2)17-7-4-6(16-13)14-8(15-7)9(10,11)12/h4-5H,3,13H2,1-2H3,(H,14,15,16)
InChIKeyNXANNNNEJNLPMH-UHFFFAOYSA-N
XLogP2.67
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 ≤ 52.67
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-butan-2-ylsulfanyl-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine?
The IUPAC name of [6-butan-2-ylsulfanyl-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine (CID 106776530) is [6-butan-2-ylsulfanyl-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [6-butan-2-ylsulfanyl-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine?
The canonical SMILES for [6-butan-2-ylsulfanyl-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine is CCC(C)Sc1cc(NN)nc(C(F)(F)F)n1.
What is the InChIKey of [6-butan-2-ylsulfanyl-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine?
The InChIKey is NXANNNNEJNLPMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N4S/c1-3-5(2)17-7-4-6(16-13)14-8(15-7)9(10,11)12/h4-5H,3,13H2,1-2H3,(H,14,15,16).
What are the key properties of [6-butan-2-ylsulfanyl-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine?
[6-butan-2-ylsulfanyl-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine has a molecular weight of 266.29 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-butan-2-ylsulfanyl-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 106776530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).