[6-ethyl-2-[2-(trifluoromethoxy)phenyl]pyrimidin-4-yl]hydrazine

C13H13F3N4O — CID 62250732

IUPAC[6-ethyl-2-[2-(trifluoromethoxy)phenyl]pyrimidin-4-yl]hydrazine
SMILESCCc1cc(NN)nc(-c2ccccc2OC(F)(F)F)n1
InChIInChI=1S/C13H13F3N4O/c1-2-8-7-11(20-17)19-12(18-8)9-5-3-4-6-10(9)21-13(14,15)16/h3-7H,2,17H2,1H3,(H,18,19,20)
InChIKeyWXWJEYWCZGAEFM-UHFFFAOYSA-N
MW298.27 g/mol
LogP2.89
Rot. Bonds4

About [6-ethyl-2-[2-(trifluoromethoxy)phenyl]pyrimidin-4-yl]hydrazine

[6-ethyl-2-[2-(trifluoromethoxy)phenyl]pyrimidin-4-yl]hydrazine (PubChem CID 62250732) has the molecular formula C13H13F3N4O and a molecular weight of 298.27 g/mol. Its IUPAC name is [6-ethyl-2-[2-(trifluoromethoxy)phenyl]pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[6-ethyl-2-[2-(trifluoromethoxy)phenyl]pyrimidin-4-yl]hydrazine
PubChem CID62250732
Molecular FormulaC13H13F3N4O
Molecular Weight298.27 g/mol
Exact Mass298.10
IUPAC Name[6-ethyl-2-[2-(trifluoromethoxy)phenyl]pyrimidin-4-yl]hydrazine
SMILESCCc1cc(NN)nc(-c2ccccc2OC(F)(F)F)n1
InChIInChI=1S/C13H13F3N4O/c1-2-8-7-11(20-17)19-12(18-8)9-5-3-4-6-10(9)21-13(14,15)16/h3-7H,2,17H2,1H3,(H,18,19,20)
InChIKeyWXWJEYWCZGAEFM-UHFFFAOYSA-N
XLogP2.89
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 ≤ 52.89
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 [6-ethyl-2-[2-(trifluoromethoxy)phenyl]pyrimidin-4-yl]hydrazine?
The IUPAC name of [6-ethyl-2-[2-(trifluoromethoxy)phenyl]pyrimidin-4-yl]hydrazine (CID 62250732) is [6-ethyl-2-[2-(trifluoromethoxy)phenyl]pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [6-ethyl-2-[2-(trifluoromethoxy)phenyl]pyrimidin-4-yl]hydrazine?
The canonical SMILES for [6-ethyl-2-[2-(trifluoromethoxy)phenyl]pyrimidin-4-yl]hydrazine is CCc1cc(NN)nc(-c2ccccc2OC(F)(F)F)n1.
What is the InChIKey of [6-ethyl-2-[2-(trifluoromethoxy)phenyl]pyrimidin-4-yl]hydrazine?
The InChIKey is WXWJEYWCZGAEFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N4O/c1-2-8-7-11(20-17)19-12(18-8)9-5-3-4-6-10(9)21-13(14,15)16/h3-7H,2,17H2,1H3,(H,18,19,20).
What are the key properties of [6-ethyl-2-[2-(trifluoromethoxy)phenyl]pyrimidin-4-yl]hydrazine?
[6-ethyl-2-[2-(trifluoromethoxy)phenyl]pyrimidin-4-yl]hydrazine has a molecular weight of 298.27 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-ethyl-2-[2-(trifluoromethoxy)phenyl]pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 62250732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).