[4-(3,5-dimethylphenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine

C13H13F3N4O — CID 114567743

IUPAC[4-(3,5-dimethylphenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
SMILESCc1cc(C)cc(Oc2cc(C(F)(F)F)nc(NN)n2)c1
InChIInChI=1S/C13H13F3N4O/c1-7-3-8(2)5-9(4-7)21-11-6-10(13(14,15)16)18-12(19-11)20-17/h3-6H,17H2,1-2H3,(H,18,19,20)
InChIKeySYNWCJKLCQAFCF-UHFFFAOYSA-N
MW298.27 g/mol
LogP3.19
Rot. Bonds3

About [4-(3,5-dimethylphenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine

[4-(3,5-dimethylphenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine (PubChem CID 114567743) has the molecular formula C13H13F3N4O and a molecular weight of 298.27 g/mol. Its IUPAC name is [4-(3,5-dimethylphenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine.

Molecular Properties

Compound Name[4-(3,5-dimethylphenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
PubChem CID114567743
Molecular FormulaC13H13F3N4O
Molecular Weight298.27 g/mol
Exact Mass298.10
IUPAC Name[4-(3,5-dimethylphenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
SMILESCc1cc(C)cc(Oc2cc(C(F)(F)F)nc(NN)n2)c1
InChIInChI=1S/C13H13F3N4O/c1-7-3-8(2)5-9(4-7)21-11-6-10(13(14,15)16)18-12(19-11)20-17/h3-6H,17H2,1-2H3,(H,18,19,20)
InChIKeySYNWCJKLCQAFCF-UHFFFAOYSA-N
XLogP3.19
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.27
LogP ≤ 53.19
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-(3,5-dimethylphenoxy)-6-methylpyrimidin-2-yl]hydrazine
CID 80915689
[4-(2,4-dimethylphenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
CID 114567733
[4-(3-methoxyphenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
CID 114567735
[4-(3-chlorophenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
CID 114567750
[4-(2-ethylphenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
CID 114567761
[4-(2,3-difluorophenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
CID 114567786
[4-(3,3-dimethylbutoxy)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
CID 114567814
[4-(2,2,3,3,3-pentafluoropropoxy)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
CID 114567815
[4-(2,2-difluoroethoxy)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
CID 114567822
[4-(2-bromo-4-chlorophenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
CID 114567756
4-(4-bromo-3-methylphenoxy)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114566596
[4-(4,4-dimethylcyclohexyl)oxy-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
CID 114567840

Frequently Asked Questions

What is the IUPAC name of [4-(3,5-dimethylphenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine?
The IUPAC name of [4-(3,5-dimethylphenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine (CID 114567743) is [4-(3,5-dimethylphenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine.
What is the SMILES notation for [4-(3,5-dimethylphenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine?
The canonical SMILES for [4-(3,5-dimethylphenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine is Cc1cc(C)cc(Oc2cc(C(F)(F)F)nc(NN)n2)c1.
What is the InChIKey of [4-(3,5-dimethylphenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine?
The InChIKey is SYNWCJKLCQAFCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N4O/c1-7-3-8(2)5-9(4-7)21-11-6-10(13(14,15)16)18-12(19-11)20-17/h3-6H,17H2,1-2H3,(H,18,19,20).
What are the key properties of [4-(3,5-dimethylphenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine?
[4-(3,5-dimethylphenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine has a molecular weight of 298.27 g/mol, XLogP of 3.19, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,5-dimethylphenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine is sourced from PubChem (CID 114567743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).