[5,6-dimethyl-2-[2-(trifluoromethoxy)phenyl]pyrimidin-4-yl]hydrazine

C13H13F3N4O — CID 62251303

IUPAC[5,6-dimethyl-2-[2-(trifluoromethoxy)phenyl]pyrimidin-4-yl]hydrazine
SMILESCc1nc(-c2ccccc2OC(F)(F)F)nc(NN)c1C
InChIInChI=1S/C13H13F3N4O/c1-7-8(2)18-12(19-11(7)20-17)9-5-3-4-6-10(9)21-13(14,15)16/h3-6H,17H2,1-2H3,(H,18,19,20)
InChIKeyVTXXPJPYQRAWBP-UHFFFAOYSA-N
MW298.27 g/mol
LogP2.94
Rot. Bonds3

About [5,6-dimethyl-2-[2-(trifluoromethoxy)phenyl]pyrimidin-4-yl]hydrazine

[5,6-dimethyl-2-[2-(trifluoromethoxy)phenyl]pyrimidin-4-yl]hydrazine (PubChem CID 62251303) has the molecular formula C13H13F3N4O and a molecular weight of 298.27 g/mol. Its IUPAC name is [5,6-dimethyl-2-[2-(trifluoromethoxy)phenyl]pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[5,6-dimethyl-2-[2-(trifluoromethoxy)phenyl]pyrimidin-4-yl]hydrazine
PubChem CID62251303
Molecular FormulaC13H13F3N4O
Molecular Weight298.27 g/mol
Exact Mass298.10
IUPAC Name[5,6-dimethyl-2-[2-(trifluoromethoxy)phenyl]pyrimidin-4-yl]hydrazine
SMILESCc1nc(-c2ccccc2OC(F)(F)F)nc(NN)c1C
InChIInChI=1S/C13H13F3N4O/c1-7-8(2)18-12(19-11(7)20-17)9-5-3-4-6-10(9)21-13(14,15)16/h3-6H,17H2,1-2H3,(H,18,19,20)
InChIKeyVTXXPJPYQRAWBP-UHFFFAOYSA-N
XLogP2.94
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 ≤ 52.94
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

[2-[2-(difluoromethoxy)phenyl]-5,6-dimethylpyrimidin-4-yl]hydrazine
CID 62250939
5,6-dimethyl-2-[2-(trifluoromethoxy)phenyl]pyrimidin-4-amine
CID 62204241
[5,6-dimethyl-2-(2-methylphenyl)pyrimidin-4-yl]hydrazine
CID 62252584
[6-ethyl-2-[2-(trifluoromethoxy)phenyl]pyrimidin-4-yl]hydrazine
CID 62250732
4-chloro-5-ethyl-6-methyl-2-[2-(trifluoromethoxy)phenyl]pyrimidine
CID 61000690
2-(2-ethoxyphenyl)-N,5,6-trimethylpyrimidin-4-amine
CID 62202263
1-(trifluoromethoxy)-2-[2-(trifluoromethoxy)phenyl]benzene
CID 18785200
(5,6-dimethyl-2-thiophen-2-ylpyrimidin-4-yl)hydrazine
CID 62250157
[5,6-dimethyl-2-(5-methylthiophen-2-yl)pyrimidin-4-yl]hydrazine
CID 62252622
[6-ethyl-5-methyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]hydrazine
CID 63559694
5-chloro-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole
CID 54883856
5,6-dimethyl-3-[2-(trifluoromethoxy)phenyl]-1H-pyrazine-2-thione
CID 106514817

Frequently Asked Questions

What is the IUPAC name of [5,6-dimethyl-2-[2-(trifluoromethoxy)phenyl]pyrimidin-4-yl]hydrazine?
The IUPAC name of [5,6-dimethyl-2-[2-(trifluoromethoxy)phenyl]pyrimidin-4-yl]hydrazine (CID 62251303) is [5,6-dimethyl-2-[2-(trifluoromethoxy)phenyl]pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [5,6-dimethyl-2-[2-(trifluoromethoxy)phenyl]pyrimidin-4-yl]hydrazine?
The canonical SMILES for [5,6-dimethyl-2-[2-(trifluoromethoxy)phenyl]pyrimidin-4-yl]hydrazine is Cc1nc(-c2ccccc2OC(F)(F)F)nc(NN)c1C.
What is the InChIKey of [5,6-dimethyl-2-[2-(trifluoromethoxy)phenyl]pyrimidin-4-yl]hydrazine?
The InChIKey is VTXXPJPYQRAWBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N4O/c1-7-8(2)18-12(19-11(7)20-17)9-5-3-4-6-10(9)21-13(14,15)16/h3-6H,17H2,1-2H3,(H,18,19,20).
What are the key properties of [5,6-dimethyl-2-[2-(trifluoromethoxy)phenyl]pyrimidin-4-yl]hydrazine?
[5,6-dimethyl-2-[2-(trifluoromethoxy)phenyl]pyrimidin-4-yl]hydrazine has a molecular weight of 298.27 g/mol, XLogP of 2.94, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5,6-dimethyl-2-[2-(trifluoromethoxy)phenyl]pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 62251303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).