[5-ethyl-6-(5-fluoro-2-methylphenoxy)pyrimidin-4-yl]hydrazine

C13H15FN4O — CID 102989646

IUPAC[5-ethyl-6-(5-fluoro-2-methylphenoxy)pyrimidin-4-yl]hydrazine
SMILESCCc1c(NN)ncnc1Oc1cc(F)ccc1C
InChIInChI=1S/C13H15FN4O/c1-3-10-12(18-15)16-7-17-13(10)19-11-6-9(14)5-4-8(11)2/h4-7H,3,15H2,1-2H3,(H,16,17,18)
InChIKeyJAEXVAJTDVMGQW-UHFFFAOYSA-N
MW262.29 g/mol
LogP2.56
Rot. Bonds4

About [5-ethyl-6-(5-fluoro-2-methylphenoxy)pyrimidin-4-yl]hydrazine

[5-ethyl-6-(5-fluoro-2-methylphenoxy)pyrimidin-4-yl]hydrazine (PubChem CID 102989646) has the molecular formula C13H15FN4O and a molecular weight of 262.29 g/mol. Its IUPAC name is [5-ethyl-6-(5-fluoro-2-methylphenoxy)pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[5-ethyl-6-(5-fluoro-2-methylphenoxy)pyrimidin-4-yl]hydrazine
PubChem CID102989646
Molecular FormulaC13H15FN4O
Molecular Weight262.29 g/mol
Exact Mass262.12
IUPAC Name[5-ethyl-6-(5-fluoro-2-methylphenoxy)pyrimidin-4-yl]hydrazine
SMILESCCc1c(NN)ncnc1Oc1cc(F)ccc1C
InChIInChI=1S/C13H15FN4O/c1-3-10-12(18-15)16-7-17-13(10)19-11-6-9(14)5-4-8(11)2/h4-7H,3,15H2,1-2H3,(H,16,17,18)
InChIKeyJAEXVAJTDVMGQW-UHFFFAOYSA-N
XLogP2.56
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 52.56
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-(5-fluoro-2-methylphenoxy)-5-methoxypyrimidin-4-yl]hydrazine
CID 102989666
[5-ethyl-6-(2-methylsulfanylphenoxy)pyrimidin-4-yl]hydrazine
CID 80925890
6-(2,5-dimethylphenoxy)-5-ethyl-N-methylpyrimidin-4-amine
CID 80863980
[6-(2-bromo-4-fluorophenoxy)-5-propylpyrimidin-4-yl]hydrazine
CID 80917689
5-ethyl-N-(4-fluoro-2-methoxyphenyl)-6-hydrazinylpyrimidin-4-amine
CID 80905202
[6-(2,5-difluorophenoxy)-5-methylpyrimidin-4-yl]hydrazine
CID 80924404
6-(5-chloro-2-methylphenoxy)-N,5-diethylpyrimidin-4-amine
CID 80877370
[5-ethyl-6-(2-propan-2-ylphenoxy)pyrimidin-4-yl]hydrazine
CID 80916406
[6-(2-tert-butylphenoxy)-5-ethylpyrimidin-4-yl]hydrazine
CID 80909607
3-(6-hydrazinyl-5-propylpyrimidin-4-yl)oxy-4-methylbenzonitrile
CID 107662865
(5-ethyl-6-naphthalen-2-yloxypyrimidin-4-yl)hydrazine
CID 80910099
[6-(3-bromophenoxy)-5-ethylpyrimidin-4-yl]hydrazine
CID 80915780

Frequently Asked Questions

What is the IUPAC name of [5-ethyl-6-(5-fluoro-2-methylphenoxy)pyrimidin-4-yl]hydrazine?
The IUPAC name of [5-ethyl-6-(5-fluoro-2-methylphenoxy)pyrimidin-4-yl]hydrazine (CID 102989646) is [5-ethyl-6-(5-fluoro-2-methylphenoxy)pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [5-ethyl-6-(5-fluoro-2-methylphenoxy)pyrimidin-4-yl]hydrazine?
The canonical SMILES for [5-ethyl-6-(5-fluoro-2-methylphenoxy)pyrimidin-4-yl]hydrazine is CCc1c(NN)ncnc1Oc1cc(F)ccc1C.
What is the InChIKey of [5-ethyl-6-(5-fluoro-2-methylphenoxy)pyrimidin-4-yl]hydrazine?
The InChIKey is JAEXVAJTDVMGQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN4O/c1-3-10-12(18-15)16-7-17-13(10)19-11-6-9(14)5-4-8(11)2/h4-7H,3,15H2,1-2H3,(H,16,17,18).
What are the key properties of [5-ethyl-6-(5-fluoro-2-methylphenoxy)pyrimidin-4-yl]hydrazine?
[5-ethyl-6-(5-fluoro-2-methylphenoxy)pyrimidin-4-yl]hydrazine has a molecular weight of 262.29 g/mol, XLogP of 2.56, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-ethyl-6-(5-fluoro-2-methylphenoxy)pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 102989646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).