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

C13H19F3N4O — CID 106776446

IUPAC[6-(3,4-dimethylcyclohexyl)oxy-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
SMILESCC1CCC(Oc2cc(NN)nc(C(F)(F)F)n2)CC1C
InChIInChI=1S/C13H19F3N4O/c1-7-3-4-9(5-8(7)2)21-11-6-10(20-17)18-12(19-11)13(14,15)16/h6-9H,3-5,17H2,1-2H3,(H,18,19,20)
InChIKeyNQNDUDRJJSKFJN-UHFFFAOYSA-N
MW304.32 g/mol
LogP2.98
Rot. Bonds3

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

[6-(3,4-dimethylcyclohexyl)oxy-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine (PubChem CID 106776446) has the molecular formula C13H19F3N4O and a molecular weight of 304.32 g/mol. Its IUPAC name is [6-(3,4-dimethylcyclohexyl)oxy-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[6-(3,4-dimethylcyclohexyl)oxy-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
PubChem CID106776446
Molecular FormulaC13H19F3N4O
Molecular Weight304.32 g/mol
Exact Mass304.15
IUPAC Name[6-(3,4-dimethylcyclohexyl)oxy-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
SMILESCC1CCC(Oc2cc(NN)nc(C(F)(F)F)n2)CC1C
InChIInChI=1S/C13H19F3N4O/c1-7-3-4-9(5-8(7)2)21-11-6-10(20-17)18-12(19-11)13(14,15)16/h6-9H,3-5,17H2,1-2H3,(H,18,19,20)
InChIKeyNQNDUDRJJSKFJN-UHFFFAOYSA-N
XLogP2.98
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 ≤ 52.98
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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Related Compounds

[6-(3-ethylcyclohexyl)oxy-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
CID 106776447
6-(3,4-dimethylcyclohexyl)oxy-N-methyl-4-(trifluoromethyl)pyridin-2-amine
CID 102720007
(2-tert-butyl-6-cyclobutyloxypyrimidin-4-yl)hydrazine
CID 80979275
6-hydrazinyl-N-(2-methylcyclopropyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106775639
6-cyclobutyloxy-N-ethyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106774446
6-hydrazinyl-N-(2-methylcyclopentyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106775688
[6-(2-methoxyethoxy)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
CID 106776329
2-cyclopropyl-6-(3,4-dimethylcyclohexyl)oxy-N-methylpyrimidin-4-amine
CID 80962626
N-ethyl-6-(oxolan-3-yloxy)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106774573
[2-cyclopropyl-6-(4-methylcyclohexyl)oxypyrimidin-4-yl]hydrazine
CID 80969664
2-[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]oxyethanol
CID 106776341
6-hydrazinyl-N-[(2-methylcyclohexyl)methyl]-2-(trifluoromethyl)pyrimidin-4-amine
CID 106775566

Frequently Asked Questions

What is the IUPAC name of [6-(3,4-dimethylcyclohexyl)oxy-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine?
The IUPAC name of [6-(3,4-dimethylcyclohexyl)oxy-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine (CID 106776446) is [6-(3,4-dimethylcyclohexyl)oxy-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [6-(3,4-dimethylcyclohexyl)oxy-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine?
The canonical SMILES for [6-(3,4-dimethylcyclohexyl)oxy-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine is CC1CCC(Oc2cc(NN)nc(C(F)(F)F)n2)CC1C.
What is the InChIKey of [6-(3,4-dimethylcyclohexyl)oxy-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine?
The InChIKey is NQNDUDRJJSKFJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N4O/c1-7-3-4-9(5-8(7)2)21-11-6-10(20-17)18-12(19-11)13(14,15)16/h6-9H,3-5,17H2,1-2H3,(H,18,19,20).
What are the key properties of [6-(3,4-dimethylcyclohexyl)oxy-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine?
[6-(3,4-dimethylcyclohexyl)oxy-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine has a molecular weight of 304.32 g/mol, XLogP of 2.98, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3,4-dimethylcyclohexyl)oxy-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 106776446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).