[4-(4,4-dimethylcyclohexyl)oxy-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine

C13H19F3N4O — CID 114567840

IUPAC[4-(4,4-dimethylcyclohexyl)oxy-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
SMILESCC1(C)CCC(Oc2cc(C(F)(F)F)nc(NN)n2)CC1
InChIInChI=1S/C13H19F3N4O/c1-12(2)5-3-8(4-6-12)21-10-7-9(13(14,15)16)18-11(19-10)20-17/h7-8H,3-6,17H2,1-2H3,(H,18,19,20)
InChIKeyWUSIOQMKWLEIAJ-UHFFFAOYSA-N
MW304.32 g/mol
LogP3.13
Rot. Bonds3

About [4-(4,4-dimethylcyclohexyl)oxy-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine

[4-(4,4-dimethylcyclohexyl)oxy-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine (PubChem CID 114567840) has the molecular formula C13H19F3N4O and a molecular weight of 304.32 g/mol. Its IUPAC name is [4-(4,4-dimethylcyclohexyl)oxy-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine.

Molecular Properties

Compound Name[4-(4,4-dimethylcyclohexyl)oxy-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
PubChem CID114567840
Molecular FormulaC13H19F3N4O
Molecular Weight304.32 g/mol
Exact Mass304.15
IUPAC Name[4-(4,4-dimethylcyclohexyl)oxy-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
SMILESCC1(C)CCC(Oc2cc(C(F)(F)F)nc(NN)n2)CC1
InChIInChI=1S/C13H19F3N4O/c1-12(2)5-3-8(4-6-12)21-10-7-9(13(14,15)16)18-11(19-10)20-17/h7-8H,3-6,17H2,1-2H3,(H,18,19,20)
InChIKeyWUSIOQMKWLEIAJ-UHFFFAOYSA-N
XLogP3.13
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
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 [4-(4,4-dimethylcyclohexyl)oxy-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine?
The IUPAC name of [4-(4,4-dimethylcyclohexyl)oxy-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine (CID 114567840) is [4-(4,4-dimethylcyclohexyl)oxy-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine.
What is the SMILES notation for [4-(4,4-dimethylcyclohexyl)oxy-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine?
The canonical SMILES for [4-(4,4-dimethylcyclohexyl)oxy-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine is CC1(C)CCC(Oc2cc(C(F)(F)F)nc(NN)n2)CC1.
What is the InChIKey of [4-(4,4-dimethylcyclohexyl)oxy-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine?
The InChIKey is WUSIOQMKWLEIAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N4O/c1-12(2)5-3-8(4-6-12)21-10-7-9(13(14,15)16)18-11(19-10)20-17/h7-8H,3-6,17H2,1-2H3,(H,18,19,20).
What are the key properties of [4-(4,4-dimethylcyclohexyl)oxy-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine?
[4-(4,4-dimethylcyclohexyl)oxy-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine has a molecular weight of 304.32 g/mol, XLogP of 3.13, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4,4-dimethylcyclohexyl)oxy-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine is sourced from PubChem (CID 114567840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).