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

C12H13FN4O — CID 80940358

IUPAC[2-ethyl-6-(2-fluorophenoxy)pyrimidin-4-yl]hydrazine
SMILESCCc1nc(NN)cc(Oc2ccccc2F)n1
InChIInChI=1S/C12H13FN4O/c1-2-10-15-11(17-14)7-12(16-10)18-9-6-4-3-5-8(9)13/h3-7H,2,14H2,1H3,(H,15,16,17)
InChIKeyIBSLKQUANUCSDJ-UHFFFAOYSA-N
MW248.26 g/mol
LogP2.26
Rot. Bonds4

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

[2-ethyl-6-(2-fluorophenoxy)pyrimidin-4-yl]hydrazine (PubChem CID 80940358) has the molecular formula C12H13FN4O and a molecular weight of 248.26 g/mol. Its IUPAC name is [2-ethyl-6-(2-fluorophenoxy)pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[2-ethyl-6-(2-fluorophenoxy)pyrimidin-4-yl]hydrazine
PubChem CID80940358
Molecular FormulaC12H13FN4O
Molecular Weight248.26 g/mol
Exact Mass248.11
IUPAC Name[2-ethyl-6-(2-fluorophenoxy)pyrimidin-4-yl]hydrazine
SMILESCCc1nc(NN)cc(Oc2ccccc2F)n1
InChIInChI=1S/C12H13FN4O/c1-2-10-15-11(17-14)7-12(16-10)18-9-6-4-3-5-8(9)13/h3-7H,2,14H2,1H3,(H,15,16,17)
InChIKeyIBSLKQUANUCSDJ-UHFFFAOYSA-N
XLogP2.26
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.26
LogP ≤ 52.26
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

[6-(2-tert-butylphenoxy)-2-ethylpyrimidin-4-yl]hydrazine
CID 80939744
(2-ethyl-6-phenoxypyrimidin-4-yl)hydrazine
CID 80939130
[6-(5-chloro-2-methylphenoxy)-2-ethylpyrimidin-4-yl]hydrazine
CID 80938715
[2-ethyl-6-(2-methoxy-4-methylphenoxy)pyrimidin-4-yl]hydrazine
CID 80940996
[6-(2-bromo-4-methylphenoxy)-2-ethylpyrimidin-4-yl]hydrazine
CID 80940833
[6-(2-fluoro-3-methylphenoxy)-2-propylpyrimidin-4-yl]hydrazine
CID 107662936
[6-(2,5-dibromo-4-methoxyphenoxy)-2-ethylpyrimidin-4-yl]hydrazine
CID 80938302
[2-ethyl-6-(3-methoxyphenoxy)pyrimidin-4-yl]hydrazine
CID 80940048
[6-(3-bromophenoxy)-2-ethylpyrimidin-4-yl]hydrazine
CID 80939353
[2-ethyl-6-(2-phenoxyethoxy)pyrimidin-4-yl]hydrazine
CID 80939342
2-ethyl-N-methyl-6-naphthalen-1-yloxypyrimidin-4-amine
CID 80938850
[6-(2-ethylphenoxy)-2-methylsulfanylpyrimidin-4-yl]hydrazine
CID 80916805

Frequently Asked Questions

What is the IUPAC name of [2-ethyl-6-(2-fluorophenoxy)pyrimidin-4-yl]hydrazine?
The IUPAC name of [2-ethyl-6-(2-fluorophenoxy)pyrimidin-4-yl]hydrazine (CID 80940358) is [2-ethyl-6-(2-fluorophenoxy)pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [2-ethyl-6-(2-fluorophenoxy)pyrimidin-4-yl]hydrazine?
The canonical SMILES for [2-ethyl-6-(2-fluorophenoxy)pyrimidin-4-yl]hydrazine is CCc1nc(NN)cc(Oc2ccccc2F)n1.
What is the InChIKey of [2-ethyl-6-(2-fluorophenoxy)pyrimidin-4-yl]hydrazine?
The InChIKey is IBSLKQUANUCSDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN4O/c1-2-10-15-11(17-14)7-12(16-10)18-9-6-4-3-5-8(9)13/h3-7H,2,14H2,1H3,(H,15,16,17).
What are the key properties of [2-ethyl-6-(2-fluorophenoxy)pyrimidin-4-yl]hydrazine?
[2-ethyl-6-(2-fluorophenoxy)pyrimidin-4-yl]hydrazine has a molecular weight of 248.26 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-ethyl-6-(2-fluorophenoxy)pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 80940358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).