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

C13H16N4OS — CID 80925890

IUPAC[5-ethyl-6-(2-methylsulfanylphenoxy)pyrimidin-4-yl]hydrazine
SMILESCCc1c(NN)ncnc1Oc1ccccc1SC
InChIInChI=1S/C13H16N4OS/c1-3-9-12(17-14)15-8-16-13(9)18-10-6-4-5-7-11(10)19-2/h4-8H,3,14H2,1-2H3,(H,15,16,17)
InChIKeyXRUNIQXTRYRVRW-UHFFFAOYSA-N
MW276.37 g/mol
LogP2.84
Rot. Bonds5

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

[5-ethyl-6-(2-methylsulfanylphenoxy)pyrimidin-4-yl]hydrazine (PubChem CID 80925890) has the molecular formula C13H16N4OS and a molecular weight of 276.37 g/mol. Its IUPAC name is [5-ethyl-6-(2-methylsulfanylphenoxy)pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[5-ethyl-6-(2-methylsulfanylphenoxy)pyrimidin-4-yl]hydrazine
PubChem CID80925890
Molecular FormulaC13H16N4OS
Molecular Weight276.37 g/mol
Exact Mass276.10
IUPAC Name[5-ethyl-6-(2-methylsulfanylphenoxy)pyrimidin-4-yl]hydrazine
SMILESCCc1c(NN)ncnc1Oc1ccccc1SC
InChIInChI=1S/C13H16N4OS/c1-3-9-12(17-14)15-8-16-13(9)18-10-6-4-5-7-11(10)19-2/h4-8H,3,14H2,1-2H3,(H,15,16,17)
InChIKeyXRUNIQXTRYRVRW-UHFFFAOYSA-N
XLogP2.84
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.37
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

[5-ethyl-6-(2-propan-2-ylphenoxy)pyrimidin-4-yl]hydrazine
CID 80916406
[6-(2-tert-butylphenoxy)-5-ethylpyrimidin-4-yl]hydrazine
CID 80909607
[5-ethyl-6-(5-fluoro-2-methylphenoxy)pyrimidin-4-yl]hydrazine
CID 102989646
(5-ethyl-6-naphthalen-2-yloxypyrimidin-4-yl)hydrazine
CID 80910099
4-chloro-6-(2-methylsulfanylphenoxy)-5-propylpyrimidine
CID 63734722
[6-(3-bromophenoxy)-5-ethylpyrimidin-4-yl]hydrazine
CID 80915780
5-ethyl-N-methyl-6-(2-propan-2-ylphenoxy)pyrimidin-4-amine
CID 80882032
[5-ethyl-6-(3-methylbutan-2-yloxy)pyrimidin-4-yl]hydrazine
CID 80922712
[5-ethyl-6-[3-(trifluoromethyl)phenoxy]pyrimidin-4-yl]hydrazine
CID 80910964
6-N,5-diethyl-4-N-(2-methylsulfanylphenyl)pyrimidine-4,6-diamine
CID 107647171
4-chloro-5-methyl-6-(2-methylsulfanylphenoxy)pyrimidine
CID 63734721
(5-ethyl-6-heptoxypyrimidin-4-yl)hydrazine
CID 80910142

Frequently Asked Questions

What is the IUPAC name of [5-ethyl-6-(2-methylsulfanylphenoxy)pyrimidin-4-yl]hydrazine?
The IUPAC name of [5-ethyl-6-(2-methylsulfanylphenoxy)pyrimidin-4-yl]hydrazine (CID 80925890) is [5-ethyl-6-(2-methylsulfanylphenoxy)pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [5-ethyl-6-(2-methylsulfanylphenoxy)pyrimidin-4-yl]hydrazine?
The canonical SMILES for [5-ethyl-6-(2-methylsulfanylphenoxy)pyrimidin-4-yl]hydrazine is CCc1c(NN)ncnc1Oc1ccccc1SC.
What is the InChIKey of [5-ethyl-6-(2-methylsulfanylphenoxy)pyrimidin-4-yl]hydrazine?
The InChIKey is XRUNIQXTRYRVRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4OS/c1-3-9-12(17-14)15-8-16-13(9)18-10-6-4-5-7-11(10)19-2/h4-8H,3,14H2,1-2H3,(H,15,16,17).
What are the key properties of [5-ethyl-6-(2-methylsulfanylphenoxy)pyrimidin-4-yl]hydrazine?
[5-ethyl-6-(2-methylsulfanylphenoxy)pyrimidin-4-yl]hydrazine has a molecular weight of 276.37 g/mol, XLogP of 2.84, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-ethyl-6-(2-methylsulfanylphenoxy)pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 80925890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).