[2-tert-butyl-6-(3-fluorophenoxy)pyrimidin-4-yl]hydrazine

C14H17FN4O — CID 80979164

IUPAC[2-tert-butyl-6-(3-fluorophenoxy)pyrimidin-4-yl]hydrazine
SMILESCC(C)(C)c1nc(NN)cc(Oc2cccc(F)c2)n1
InChIInChI=1S/C14H17FN4O/c1-14(2,3)13-17-11(19-16)8-12(18-13)20-10-6-4-5-9(15)7-10/h4-8H,16H2,1-3H3,(H,17,18,19)
InChIKeyPCZVYNIOMODXBQ-UHFFFAOYSA-N
MW276.31 g/mol
LogP2.99
Rot. Bonds3

About [2-tert-butyl-6-(3-fluorophenoxy)pyrimidin-4-yl]hydrazine

[2-tert-butyl-6-(3-fluorophenoxy)pyrimidin-4-yl]hydrazine (PubChem CID 80979164) has the molecular formula C14H17FN4O and a molecular weight of 276.31 g/mol. Its IUPAC name is [2-tert-butyl-6-(3-fluorophenoxy)pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[2-tert-butyl-6-(3-fluorophenoxy)pyrimidin-4-yl]hydrazine
PubChem CID80979164
Molecular FormulaC14H17FN4O
Molecular Weight276.31 g/mol
Exact Mass276.14
IUPAC Name[2-tert-butyl-6-(3-fluorophenoxy)pyrimidin-4-yl]hydrazine
SMILESCC(C)(C)c1nc(NN)cc(Oc2cccc(F)c2)n1
InChIInChI=1S/C14H17FN4O/c1-14(2,3)13-17-11(19-16)8-12(18-13)20-10-6-4-5-9(15)7-10/h4-8H,16H2,1-3H3,(H,17,18,19)
InChIKeyPCZVYNIOMODXBQ-UHFFFAOYSA-N
XLogP2.99
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 52.99
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-(3-fluorophenoxy)-N-methylpyrimidin-4-amine
CID 80965315
[6-(3-fluorophenoxy)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
CID 106776384
[6-(3-fluorophenoxy)-2-methylpyrimidin-4-yl]hydrazine
CID 80916968
[2-tert-butyl-6-(4-chlorophenoxy)pyrimidin-4-yl]hydrazine
CID 80968447
4-N-ethyl-6-(3-fluorophenoxy)pyrimidine-2,4-diamine
CID 80870028
[2-tert-butyl-6-[(2-methylpropan-2-yl)oxy]pyrimidin-4-yl]hydrazine
CID 80968204
[6-(3,4-difluorophenoxy)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
CID 106776400
6-(3-bromophenoxy)-2-tert-butyl-N-ethylpyrimidin-4-amine
CID 80966382
(2-tert-butyl-6-ethoxypyrimidin-4-yl)hydrazine
CID 80968739
6-(3-fluorophenoxy)-2-[(2-methylpropan-2-yl)oxy]pyridin-3-amine
CID 43262162
2-tert-butyl-N-(2,6-difluorophenyl)-6-hydrazinylpyrimidin-4-amine
CID 80969498
[2-tert-butyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]hydrazine
CID 80969768

Frequently Asked Questions

What is the IUPAC name of [2-tert-butyl-6-(3-fluorophenoxy)pyrimidin-4-yl]hydrazine?
The IUPAC name of [2-tert-butyl-6-(3-fluorophenoxy)pyrimidin-4-yl]hydrazine (CID 80979164) is [2-tert-butyl-6-(3-fluorophenoxy)pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [2-tert-butyl-6-(3-fluorophenoxy)pyrimidin-4-yl]hydrazine?
The canonical SMILES for [2-tert-butyl-6-(3-fluorophenoxy)pyrimidin-4-yl]hydrazine is CC(C)(C)c1nc(NN)cc(Oc2cccc(F)c2)n1.
What is the InChIKey of [2-tert-butyl-6-(3-fluorophenoxy)pyrimidin-4-yl]hydrazine?
The InChIKey is PCZVYNIOMODXBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN4O/c1-14(2,3)13-17-11(19-16)8-12(18-13)20-10-6-4-5-9(15)7-10/h4-8H,16H2,1-3H3,(H,17,18,19).
What are the key properties of [2-tert-butyl-6-(3-fluorophenoxy)pyrimidin-4-yl]hydrazine?
[2-tert-butyl-6-(3-fluorophenoxy)pyrimidin-4-yl]hydrazine has a molecular weight of 276.31 g/mol, XLogP of 2.99, 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-(3-fluorophenoxy)pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 80979164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).