[6-(2-ethylphenoxy)-2-methylsulfanylpyrimidin-4-yl]hydrazine

C13H16N4OS — CID 80916805

IUPAC[6-(2-ethylphenoxy)-2-methylsulfanylpyrimidin-4-yl]hydrazine
SMILESCCc1ccccc1Oc1cc(NN)nc(SC)n1
InChIInChI=1S/C13H16N4OS/c1-3-9-6-4-5-7-10(9)18-12-8-11(17-14)15-13(16-12)19-2/h4-8H,3,14H2,1-2H3,(H,15,16,17)
InChIKeyNTTQJOOCMKPVMI-UHFFFAOYSA-N
MW276.37 g/mol
LogP2.84
Rot. Bonds5

About [6-(2-ethylphenoxy)-2-methylsulfanylpyrimidin-4-yl]hydrazine

[6-(2-ethylphenoxy)-2-methylsulfanylpyrimidin-4-yl]hydrazine (PubChem CID 80916805) has the molecular formula C13H16N4OS and a molecular weight of 276.37 g/mol. Its IUPAC name is [6-(2-ethylphenoxy)-2-methylsulfanylpyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[6-(2-ethylphenoxy)-2-methylsulfanylpyrimidin-4-yl]hydrazine
PubChem CID80916805
Molecular FormulaC13H16N4OS
Molecular Weight276.37 g/mol
Exact Mass276.10
IUPAC Name[6-(2-ethylphenoxy)-2-methylsulfanylpyrimidin-4-yl]hydrazine
SMILESCCc1ccccc1Oc1cc(NN)nc(SC)n1
InChIInChI=1S/C13H16N4OS/c1-3-9-6-4-5-7-10(9)18-12-8-11(17-14)15-13(16-12)19-2/h4-8H,3,14H2,1-2H3,(H,15,16,17)
InChIKeyNTTQJOOCMKPVMI-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

6-(2-ethylphenoxy)-2-methylsulfanylpyrimidin-4-amine
CID 80875016
[6-(2-chlorophenoxy)-2-methylsulfanylpyrimidin-4-yl]hydrazine
CID 80915353
[2-methylsulfanyl-6-(2,4,5-trichlorophenoxy)pyrimidin-4-yl]hydrazine
CID 80918206
[6-(2,5-dibromo-4-methoxyphenoxy)-2-methylsulfanylpyrimidin-4-yl]hydrazine
CID 80924928
N-ethyl-6-(2-methoxyphenoxy)-2-methylsulfanylpyrimidin-4-amine
CID 80869840
[2-(6-amino-2-methylsulfanylpyrimidin-4-yl)oxyphenyl]methanol
CID 80879243
[2-ethyl-6-(2-fluorophenoxy)pyrimidin-4-yl]hydrazine
CID 80940358
(6-methoxy-2-methylsulfanylpyrimidin-4-yl)hydrazine
CID 80909923
6-(2-ethylphenoxy)-N,2-dimethylpyrimidin-4-amine
CID 80874565
[2-methylsulfanyl-6-(2,3,6-trimethylphenoxy)pyrimidin-4-yl]hydrazine
CID 80916728
6-(2-iodophenoxy)-N-methyl-2-methylsulfanylpyrimidin-4-amine
CID 80875276
[4-(2-ethylphenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
CID 114567761

Frequently Asked Questions

What is the IUPAC name of [6-(2-ethylphenoxy)-2-methylsulfanylpyrimidin-4-yl]hydrazine?
The IUPAC name of [6-(2-ethylphenoxy)-2-methylsulfanylpyrimidin-4-yl]hydrazine (CID 80916805) is [6-(2-ethylphenoxy)-2-methylsulfanylpyrimidin-4-yl]hydrazine.
What is the SMILES notation for [6-(2-ethylphenoxy)-2-methylsulfanylpyrimidin-4-yl]hydrazine?
The canonical SMILES for [6-(2-ethylphenoxy)-2-methylsulfanylpyrimidin-4-yl]hydrazine is CCc1ccccc1Oc1cc(NN)nc(SC)n1.
What is the InChIKey of [6-(2-ethylphenoxy)-2-methylsulfanylpyrimidin-4-yl]hydrazine?
The InChIKey is NTTQJOOCMKPVMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4OS/c1-3-9-6-4-5-7-10(9)18-12-8-11(17-14)15-13(16-12)19-2/h4-8H,3,14H2,1-2H3,(H,15,16,17).
What are the key properties of [6-(2-ethylphenoxy)-2-methylsulfanylpyrimidin-4-yl]hydrazine?
[6-(2-ethylphenoxy)-2-methylsulfanylpyrimidin-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 [6-(2-ethylphenoxy)-2-methylsulfanylpyrimidin-4-yl]hydrazine is sourced from PubChem (CID 80916805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).