[2-tert-butyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]hydrazine

C10H15F3N4O — CID 80969768

IUPAC[2-tert-butyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]hydrazine
SMILESCC(C)(C)c1nc(NN)cc(OCC(F)(F)F)n1
InChIInChI=1S/C10H15F3N4O/c1-9(2,3)8-15-6(17-14)4-7(16-8)18-5-10(11,12)13/h4H,5,14H2,1-3H3,(H,15,16,17)
InChIKeyKEMUZHHVWNPFHF-UHFFFAOYSA-N
MW264.25 g/mol
LogP2.00
Rot. Bonds3

About [2-tert-butyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]hydrazine

[2-tert-butyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]hydrazine (PubChem CID 80969768) has the molecular formula C10H15F3N4O and a molecular weight of 264.25 g/mol. Its IUPAC name is [2-tert-butyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[2-tert-butyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]hydrazine
PubChem CID80969768
Molecular FormulaC10H15F3N4O
Molecular Weight264.25 g/mol
Exact Mass264.12
IUPAC Name[2-tert-butyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]hydrazine
SMILESCC(C)(C)c1nc(NN)cc(OCC(F)(F)F)n1
InChIInChI=1S/C10H15F3N4O/c1-9(2,3)8-15-6(17-14)4-7(16-8)18-5-10(11,12)13/h4H,5,14H2,1-3H3,(H,15,16,17)
InChIKeyKEMUZHHVWNPFHF-UHFFFAOYSA-N
XLogP2.00
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.25
LogP ≤ 52.00
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-tert-butyl-6-ethoxypyrimidin-4-yl)hydrazine
CID 80968739
[2-tert-butyl-6-(2-ethoxyethoxy)pyrimidin-4-yl]hydrazine
CID 80968844
(2-tert-butyl-6-prop-2-ynoxypyrimidin-4-yl)hydrazine
CID 80968951
N-ethyl-6-(2,2,2-trifluoroethoxy)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106773688
[2-tert-butyl-6-[(2-methylpropan-2-yl)oxy]pyrimidin-4-yl]hydrazine
CID 80968204
[6-(2-methoxyethoxy)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
CID 106776329
2-[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]oxyethanol
CID 106776341
3-[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]oxypropan-1-ol
CID 106776344
2-tert-butyl-N-ethyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-amine
CID 80956887
(2-tert-butyl-6-cyclobutyloxypyrimidin-4-yl)hydrazine
CID 80979275
2-tert-butyl-6-ethoxy-N-ethylpyrimidin-4-amine
CID 80965456
[2-tert-butyl-6-(3-fluorophenoxy)pyrimidin-4-yl]hydrazine
CID 80979164

Frequently Asked Questions

What is the IUPAC name of [2-tert-butyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]hydrazine?
The IUPAC name of [2-tert-butyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]hydrazine (CID 80969768) is [2-tert-butyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [2-tert-butyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]hydrazine?
The canonical SMILES for [2-tert-butyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]hydrazine is CC(C)(C)c1nc(NN)cc(OCC(F)(F)F)n1.
What is the InChIKey of [2-tert-butyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]hydrazine?
The InChIKey is KEMUZHHVWNPFHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N4O/c1-9(2,3)8-15-6(17-14)4-7(16-8)18-5-10(11,12)13/h4H,5,14H2,1-3H3,(H,15,16,17).
What are the key properties of [2-tert-butyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]hydrazine?
[2-tert-butyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]hydrazine has a molecular weight of 264.25 g/mol, XLogP of 2.00, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-tert-butyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 80969768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).