[5-ethyl-6-[3-(trifluoromethyl)phenoxy]pyrimidin-4-yl]hydrazine

C13H13F3N4O — CID 80910964

IUPAC[5-ethyl-6-[3-(trifluoromethyl)phenoxy]pyrimidin-4-yl]hydrazine
SMILESCCc1c(NN)ncnc1Oc1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H13F3N4O/c1-2-10-11(20-17)18-7-19-12(10)21-9-5-3-4-8(6-9)13(14,15)16/h3-7H,2,17H2,1H3,(H,18,19,20)
InChIKeyXRPPNQWEZMOZTJ-UHFFFAOYSA-N
MW298.27 g/mol
LogP3.14
Rot. Bonds4

About [5-ethyl-6-[3-(trifluoromethyl)phenoxy]pyrimidin-4-yl]hydrazine

[5-ethyl-6-[3-(trifluoromethyl)phenoxy]pyrimidin-4-yl]hydrazine (PubChem CID 80910964) has the molecular formula C13H13F3N4O and a molecular weight of 298.27 g/mol. Its IUPAC name is [5-ethyl-6-[3-(trifluoromethyl)phenoxy]pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[5-ethyl-6-[3-(trifluoromethyl)phenoxy]pyrimidin-4-yl]hydrazine
PubChem CID80910964
Molecular FormulaC13H13F3N4O
Molecular Weight298.27 g/mol
Exact Mass298.10
IUPAC Name[5-ethyl-6-[3-(trifluoromethyl)phenoxy]pyrimidin-4-yl]hydrazine
SMILESCCc1c(NN)ncnc1Oc1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H13F3N4O/c1-2-10-11(20-17)18-7-19-12(10)21-9-5-3-4-8(6-9)13(14,15)16/h3-7H,2,17H2,1H3,(H,18,19,20)
InChIKeyXRPPNQWEZMOZTJ-UHFFFAOYSA-N
XLogP3.14
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.27
LogP ≤ 53.14
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-bromophenoxy)-5-ethylpyrimidin-4-yl]hydrazine
CID 80915780
(5-ethyl-6-naphthalen-2-yloxypyrimidin-4-yl)hydrazine
CID 80910099
[6-(2-tert-butylphenoxy)-5-ethylpyrimidin-4-yl]hydrazine
CID 80909607
[6-[(5-chloro-3-pyridinyl)oxy]-5-ethylpyrimidin-4-yl]hydrazine
CID 80921561
6-(3-chlorophenoxy)-5-ethyl-N-propylpyrimidin-4-amine
CID 80869356
[5-ethyl-6-(4,4,4-trifluorobutoxy)pyrimidin-4-yl]hydrazine
CID 82795276
[5-ethyl-6-(2-propan-2-ylphenoxy)pyrimidin-4-yl]hydrazine
CID 80916406
[5-ethyl-6-(2-methylsulfanylphenoxy)pyrimidin-4-yl]hydrazine
CID 80925890
6-(3-tert-butylphenoxy)-N-ethyl-5-methylpyrimidin-4-amine
CID 80875364
5-ethyl-6-[3-(methoxymethyl)phenoxy]-N-methylpyrimidin-4-amine
CID 80876118
4,6-bis[3-(trifluoromethyl)phenoxy]pyrimidine
CID 11516885
[5-ethyl-6-(1-ethylpyrazol-4-yl)oxypyrimidin-4-yl]hydrazine
CID 116806797

Frequently Asked Questions

What is the IUPAC name of [5-ethyl-6-[3-(trifluoromethyl)phenoxy]pyrimidin-4-yl]hydrazine?
The IUPAC name of [5-ethyl-6-[3-(trifluoromethyl)phenoxy]pyrimidin-4-yl]hydrazine (CID 80910964) is [5-ethyl-6-[3-(trifluoromethyl)phenoxy]pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [5-ethyl-6-[3-(trifluoromethyl)phenoxy]pyrimidin-4-yl]hydrazine?
The canonical SMILES for [5-ethyl-6-[3-(trifluoromethyl)phenoxy]pyrimidin-4-yl]hydrazine is CCc1c(NN)ncnc1Oc1cccc(C(F)(F)F)c1.
What is the InChIKey of [5-ethyl-6-[3-(trifluoromethyl)phenoxy]pyrimidin-4-yl]hydrazine?
The InChIKey is XRPPNQWEZMOZTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N4O/c1-2-10-11(20-17)18-7-19-12(10)21-9-5-3-4-8(6-9)13(14,15)16/h3-7H,2,17H2,1H3,(H,18,19,20).
What are the key properties of [5-ethyl-6-[3-(trifluoromethyl)phenoxy]pyrimidin-4-yl]hydrazine?
[5-ethyl-6-[3-(trifluoromethyl)phenoxy]pyrimidin-4-yl]hydrazine has a molecular weight of 298.27 g/mol, XLogP of 3.14, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-ethyl-6-[3-(trifluoromethyl)phenoxy]pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 80910964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).