[6-(3-ethylcyclohexyl)oxy-2-methylsulfanylpyrimidin-4-yl]hydrazine

C13H22N4OS — CID 80922204

IUPAC[6-(3-ethylcyclohexyl)oxy-2-methylsulfanylpyrimidin-4-yl]hydrazine
SMILESCCC1CCCC(Oc2cc(NN)nc(SC)n2)C1
InChIInChI=1S/C13H22N4OS/c1-3-9-5-4-6-10(7-9)18-12-8-11(17-14)15-13(16-12)19-2/h8-10H,3-7,14H2,1-2H3,(H,15,16,17)
InChIKeyWTYRQRIHELTFMR-UHFFFAOYSA-N
MW282.41 g/mol
LogP2.83
Rot. Bonds5

About [6-(3-ethylcyclohexyl)oxy-2-methylsulfanylpyrimidin-4-yl]hydrazine

[6-(3-ethylcyclohexyl)oxy-2-methylsulfanylpyrimidin-4-yl]hydrazine (PubChem CID 80922204) has the molecular formula C13H22N4OS and a molecular weight of 282.41 g/mol. Its IUPAC name is [6-(3-ethylcyclohexyl)oxy-2-methylsulfanylpyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[6-(3-ethylcyclohexyl)oxy-2-methylsulfanylpyrimidin-4-yl]hydrazine
PubChem CID80922204
Molecular FormulaC13H22N4OS
Molecular Weight282.41 g/mol
Exact Mass282.15
IUPAC Name[6-(3-ethylcyclohexyl)oxy-2-methylsulfanylpyrimidin-4-yl]hydrazine
SMILESCCC1CCCC(Oc2cc(NN)nc(SC)n2)C1
InChIInChI=1S/C13H22N4OS/c1-3-9-5-4-6-10(7-9)18-12-8-11(17-14)15-13(16-12)19-2/h8-10H,3-7,14H2,1-2H3,(H,15,16,17)
InChIKeyWTYRQRIHELTFMR-UHFFFAOYSA-N
XLogP2.83
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 52.83
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-(3-ethylcyclohexyl)oxy-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
CID 106776447
N-ethyl-6-(3-methylcyclohexyl)oxy-2-methylsulfanylpyrimidin-4-amine
CID 80860868
6-cyclohexyloxy-N-ethyl-2-methylsulfanylpyrimidin-4-amine
CID 80858375
[6-(3-methoxycyclohexyl)oxy-2-methylpyrimidin-4-yl]hydrazine
CID 80925248
(6-methoxy-2-methylsulfanylpyrimidin-4-yl)hydrazine
CID 80909923
4-(3-ethylcyclohexyl)oxy-6-(trifluoromethyl)pyrimidin-2-amine
CID 114566515
(2-tert-butyl-6-cyclobutyloxypyrimidin-4-yl)hydrazine
CID 80979275
4-chloro-6-(3-ethylcyclohexyl)oxy-2-propan-2-ylpyrimidine
CID 80949334
N-cyclohexyl-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine
CID 80931790
(6-cyclohexyloxy-2-cyclopropylpyrimidin-4-yl)hydrazine
CID 80968842
4-N-(cyclobutylmethyl)-2-methylsulfanylpyrimidine-4,6-diamine
CID 80782716
[2-ethyl-6-(4-methylcyclohexyl)oxypyrimidin-4-yl]hydrazine
CID 80939554

Frequently Asked Questions

What is the IUPAC name of [6-(3-ethylcyclohexyl)oxy-2-methylsulfanylpyrimidin-4-yl]hydrazine?
The IUPAC name of [6-(3-ethylcyclohexyl)oxy-2-methylsulfanylpyrimidin-4-yl]hydrazine (CID 80922204) is [6-(3-ethylcyclohexyl)oxy-2-methylsulfanylpyrimidin-4-yl]hydrazine.
What is the SMILES notation for [6-(3-ethylcyclohexyl)oxy-2-methylsulfanylpyrimidin-4-yl]hydrazine?
The canonical SMILES for [6-(3-ethylcyclohexyl)oxy-2-methylsulfanylpyrimidin-4-yl]hydrazine is CCC1CCCC(Oc2cc(NN)nc(SC)n2)C1.
What is the InChIKey of [6-(3-ethylcyclohexyl)oxy-2-methylsulfanylpyrimidin-4-yl]hydrazine?
The InChIKey is WTYRQRIHELTFMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4OS/c1-3-9-5-4-6-10(7-9)18-12-8-11(17-14)15-13(16-12)19-2/h8-10H,3-7,14H2,1-2H3,(H,15,16,17).
What are the key properties of [6-(3-ethylcyclohexyl)oxy-2-methylsulfanylpyrimidin-4-yl]hydrazine?
[6-(3-ethylcyclohexyl)oxy-2-methylsulfanylpyrimidin-4-yl]hydrazine has a molecular weight of 282.41 g/mol, XLogP of 2.83, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3-ethylcyclohexyl)oxy-2-methylsulfanylpyrimidin-4-yl]hydrazine is sourced from PubChem (CID 80922204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).