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

C13H13F3N4O — CID 80910972

IUPAC[2,5-dimethyl-6-[3-(trifluoromethyl)phenoxy]pyrimidin-4-yl]hydrazine
SMILESCc1nc(NN)c(C)c(Oc2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C13H13F3N4O/c1-7-11(20-17)18-8(2)19-12(7)21-10-5-3-4-9(6-10)13(14,15)16/h3-6H,17H2,1-2H3,(H,18,19,20)
InChIKeyMHENYGFMCMVDQD-UHFFFAOYSA-N
MW298.27 g/mol
LogP3.19
Rot. Bonds3

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

[2,5-dimethyl-6-[3-(trifluoromethyl)phenoxy]pyrimidin-4-yl]hydrazine (PubChem CID 80910972) has the molecular formula C13H13F3N4O and a molecular weight of 298.27 g/mol. Its IUPAC name is [2,5-dimethyl-6-[3-(trifluoromethyl)phenoxy]pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[2,5-dimethyl-6-[3-(trifluoromethyl)phenoxy]pyrimidin-4-yl]hydrazine
PubChem CID80910972
Molecular FormulaC13H13F3N4O
Molecular Weight298.27 g/mol
Exact Mass298.10
IUPAC Name[2,5-dimethyl-6-[3-(trifluoromethyl)phenoxy]pyrimidin-4-yl]hydrazine
SMILESCc1nc(NN)c(C)c(Oc2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C13H13F3N4O/c1-7-11(20-17)18-8(2)19-12(7)21-10-5-3-4-9(6-10)13(14,15)16/h3-6H,17H2,1-2H3,(H,18,19,20)
InChIKeyMHENYGFMCMVDQD-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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Frequently Asked Questions

What is the IUPAC name of [2,5-dimethyl-6-[3-(trifluoromethyl)phenoxy]pyrimidin-4-yl]hydrazine?
The IUPAC name of [2,5-dimethyl-6-[3-(trifluoromethyl)phenoxy]pyrimidin-4-yl]hydrazine (CID 80910972) is [2,5-dimethyl-6-[3-(trifluoromethyl)phenoxy]pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [2,5-dimethyl-6-[3-(trifluoromethyl)phenoxy]pyrimidin-4-yl]hydrazine?
The canonical SMILES for [2,5-dimethyl-6-[3-(trifluoromethyl)phenoxy]pyrimidin-4-yl]hydrazine is Cc1nc(NN)c(C)c(Oc2cccc(C(F)(F)F)c2)n1.
What is the InChIKey of [2,5-dimethyl-6-[3-(trifluoromethyl)phenoxy]pyrimidin-4-yl]hydrazine?
The InChIKey is MHENYGFMCMVDQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N4O/c1-7-11(20-17)18-8(2)19-12(7)21-10-5-3-4-9(6-10)13(14,15)16/h3-6H,17H2,1-2H3,(H,18,19,20).
What are the key properties of [2,5-dimethyl-6-[3-(trifluoromethyl)phenoxy]pyrimidin-4-yl]hydrazine?
[2,5-dimethyl-6-[3-(trifluoromethyl)phenoxy]pyrimidin-4-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 [2,5-dimethyl-6-[3-(trifluoromethyl)phenoxy]pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 80910972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).