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

C12H17F3N4O — CID 114567693

IUPAC[4-(3-methylcyclohexyl)oxy-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
SMILESCC1CCCC(Oc2cc(C(F)(F)F)nc(NN)n2)C1
InChIInChI=1S/C12H17F3N4O/c1-7-3-2-4-8(5-7)20-10-6-9(12(13,14)15)17-11(18-10)19-16/h6-8H,2-5,16H2,1H3,(H,17,18,19)
InChIKeyJVTHOSMPIKDIRK-UHFFFAOYSA-N
MW290.29 g/mol
LogP2.74
Rot. Bonds3

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

[4-(3-methylcyclohexyl)oxy-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine (PubChem CID 114567693) has the molecular formula C12H17F3N4O and a molecular weight of 290.29 g/mol. Its IUPAC name is [4-(3-methylcyclohexyl)oxy-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine.

Molecular Properties

Compound Name[4-(3-methylcyclohexyl)oxy-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
PubChem CID114567693
Molecular FormulaC12H17F3N4O
Molecular Weight290.29 g/mol
Exact Mass290.14
IUPAC Name[4-(3-methylcyclohexyl)oxy-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
SMILESCC1CCCC(Oc2cc(C(F)(F)F)nc(NN)n2)C1
InChIInChI=1S/C12H17F3N4O/c1-7-3-2-4-8(5-7)20-10-6-9(12(13,14)15)17-11(18-10)19-16/h6-8H,2-5,16H2,1H3,(H,17,18,19)
InChIKeyJVTHOSMPIKDIRK-UHFFFAOYSA-N
XLogP2.74
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 52.74
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

[4-methyl-6-(3-methylcyclohexyl)oxypyrimidin-2-yl]hydrazine
CID 80909599
[4-(4,4-dimethylcyclohexyl)oxy-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
CID 114567840
[4-(oxan-4-yloxy)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
CID 114567774
[4-(cyclopentylmethoxy)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
CID 114567813
4-(4-methylcyclohexyl)oxy-6-(trifluoromethyl)pyrimidin-2-amine
CID 114566211
N,N-diethyl-4-hydrazinyl-6-(3-methylcyclohexyl)oxy-1,3,5-triazin-2-amine
CID 80906831
(4-cycloheptyloxy-6-methylpyrimidin-2-yl)hydrazine
CID 80920357
4-(3-ethylcyclohexyl)oxy-6-(trifluoromethyl)pyrimidin-2-amine
CID 114566515
[4-methyl-6-(4-methylcyclohexyl)oxypyrimidin-2-yl]hydrazine
CID 80909425
2-chloro-4-cyclopentyloxy-6-(trifluoromethyl)pyrimidine
CID 114561964
[5-bromo-4-(3-methylcyclohexyl)oxypyrimidin-2-yl]hydrazine
CID 80910470
2-N-methyl-4-N-(3-methylcyclohexyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114564031

Frequently Asked Questions

What is the IUPAC name of [4-(3-methylcyclohexyl)oxy-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine?
The IUPAC name of [4-(3-methylcyclohexyl)oxy-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine (CID 114567693) is [4-(3-methylcyclohexyl)oxy-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine.
What is the SMILES notation for [4-(3-methylcyclohexyl)oxy-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine?
The canonical SMILES for [4-(3-methylcyclohexyl)oxy-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine is CC1CCCC(Oc2cc(C(F)(F)F)nc(NN)n2)C1.
What is the InChIKey of [4-(3-methylcyclohexyl)oxy-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine?
The InChIKey is JVTHOSMPIKDIRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N4O/c1-7-3-2-4-8(5-7)20-10-6-9(12(13,14)15)17-11(18-10)19-16/h6-8H,2-5,16H2,1H3,(H,17,18,19).
What are the key properties of [4-(3-methylcyclohexyl)oxy-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine?
[4-(3-methylcyclohexyl)oxy-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine has a molecular weight of 290.29 g/mol, XLogP of 2.74, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-methylcyclohexyl)oxy-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine is sourced from PubChem (CID 114567693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).