[6-(3-ethylcyclohexyl)oxy-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine

C13H19F3N4O — CID 106776447

IUPAC[6-(3-ethylcyclohexyl)oxy-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
SMILESCCC1CCCC(Oc2cc(NN)nc(C(F)(F)F)n2)C1
InChIInChI=1S/C13H19F3N4O/c1-2-8-4-3-5-9(6-8)21-11-7-10(20-17)18-12(19-11)13(14,15)16/h7-9H,2-6,17H2,1H3,(H,18,19,20)
InChIKeyXXXAGBHHLXMFJM-UHFFFAOYSA-N
MW304.32 g/mol
LogP3.13
Rot. Bonds4

About [6-(3-ethylcyclohexyl)oxy-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine

[6-(3-ethylcyclohexyl)oxy-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine (PubChem CID 106776447) has the molecular formula C13H19F3N4O and a molecular weight of 304.32 g/mol. Its IUPAC name is [6-(3-ethylcyclohexyl)oxy-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[6-(3-ethylcyclohexyl)oxy-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
PubChem CID106776447
Molecular FormulaC13H19F3N4O
Molecular Weight304.32 g/mol
Exact Mass304.15
IUPAC Name[6-(3-ethylcyclohexyl)oxy-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
SMILESCCC1CCCC(Oc2cc(NN)nc(C(F)(F)F)n2)C1
InChIInChI=1S/C13H19F3N4O/c1-2-8-4-3-5-9(6-8)21-11-7-10(20-17)18-12(19-11)13(14,15)16/h7-9H,2-6,17H2,1H3,(H,18,19,20)
InChIKeyXXXAGBHHLXMFJM-UHFFFAOYSA-N
XLogP3.13
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 53.13
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-(3-ethylcyclohexyl)oxy-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine?
The IUPAC name of [6-(3-ethylcyclohexyl)oxy-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine (CID 106776447) is [6-(3-ethylcyclohexyl)oxy-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [6-(3-ethylcyclohexyl)oxy-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine?
The canonical SMILES for [6-(3-ethylcyclohexyl)oxy-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine is CCC1CCCC(Oc2cc(NN)nc(C(F)(F)F)n2)C1.
What is the InChIKey of [6-(3-ethylcyclohexyl)oxy-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine?
The InChIKey is XXXAGBHHLXMFJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N4O/c1-2-8-4-3-5-9(6-8)21-11-7-10(20-17)18-12(19-11)13(14,15)16/h7-9H,2-6,17H2,1H3,(H,18,19,20).
What are the key properties of [6-(3-ethylcyclohexyl)oxy-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine?
[6-(3-ethylcyclohexyl)oxy-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine has a molecular weight of 304.32 g/mol, XLogP of 3.13, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3-ethylcyclohexyl)oxy-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 106776447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).