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

C11H11ClN4OS — CID 80915353

IUPAC[6-(2-chlorophenoxy)-2-methylsulfanylpyrimidin-4-yl]hydrazine
SMILESCSc1nc(NN)cc(Oc2ccccc2Cl)n1
InChIInChI=1S/C11H11ClN4OS/c1-18-11-14-9(16-13)6-10(15-11)17-8-5-3-2-4-7(8)12/h2-6H,13H2,1H3,(H,14,15,16)
InChIKeySSMOFYPEDWDWTM-UHFFFAOYSA-N
MW282.76 g/mol
LogP2.93
Rot. Bonds4

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

[6-(2-chlorophenoxy)-2-methylsulfanylpyrimidin-4-yl]hydrazine (PubChem CID 80915353) has the molecular formula C11H11ClN4OS and a molecular weight of 282.76 g/mol. Its IUPAC name is [6-(2-chlorophenoxy)-2-methylsulfanylpyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[6-(2-chlorophenoxy)-2-methylsulfanylpyrimidin-4-yl]hydrazine
PubChem CID80915353
Molecular FormulaC11H11ClN4OS
Molecular Weight282.76 g/mol
Exact Mass282.03
IUPAC Name[6-(2-chlorophenoxy)-2-methylsulfanylpyrimidin-4-yl]hydrazine
SMILESCSc1nc(NN)cc(Oc2ccccc2Cl)n1
InChIInChI=1S/C11H11ClN4OS/c1-18-11-14-9(16-13)6-10(15-11)17-8-5-3-2-4-7(8)12/h2-6H,13H2,1H3,(H,14,15,16)
InChIKeySSMOFYPEDWDWTM-UHFFFAOYSA-N
XLogP2.93
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.76
LogP ≤ 52.93
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

[2-methylsulfanyl-6-(2,4,5-trichlorophenoxy)pyrimidin-4-yl]hydrazine
CID 80918206
[6-(2-ethylphenoxy)-2-methylsulfanylpyrimidin-4-yl]hydrazine
CID 80916805
[6-(3-chloro-4-fluorophenoxy)-2-methylsulfanylpyrimidin-4-yl]hydrazine
CID 80921341
[6-(2,5-dibromo-4-methoxyphenoxy)-2-methylsulfanylpyrimidin-4-yl]hydrazine
CID 80924928
(6-methoxy-2-methylsulfanylpyrimidin-4-yl)hydrazine
CID 80909923
[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-chloro-6-(2,3-dichlorophenoxy)-2-methylsulfanylpyrimidine
CID 113221056
6-(2,5-dichlorophenoxy)-N-ethyl-2-methylsulfanylpyrimidin-4-amine
CID 80862821
3-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)oxy-N,N-dimethylaniline
CID 80920296
N-ethyl-6-(2-methoxyphenoxy)-2-methylsulfanylpyrimidin-4-amine
CID 80869840
[2-methylsulfanyl-6-[4-(trifluoromethyl)phenoxy]pyrimidin-4-yl]hydrazine
CID 80910588

Frequently Asked Questions

What is the IUPAC name of [6-(2-chlorophenoxy)-2-methylsulfanylpyrimidin-4-yl]hydrazine?
The IUPAC name of [6-(2-chlorophenoxy)-2-methylsulfanylpyrimidin-4-yl]hydrazine (CID 80915353) is [6-(2-chlorophenoxy)-2-methylsulfanylpyrimidin-4-yl]hydrazine.
What is the SMILES notation for [6-(2-chlorophenoxy)-2-methylsulfanylpyrimidin-4-yl]hydrazine?
The canonical SMILES for [6-(2-chlorophenoxy)-2-methylsulfanylpyrimidin-4-yl]hydrazine is CSc1nc(NN)cc(Oc2ccccc2Cl)n1.
What is the InChIKey of [6-(2-chlorophenoxy)-2-methylsulfanylpyrimidin-4-yl]hydrazine?
The InChIKey is SSMOFYPEDWDWTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN4OS/c1-18-11-14-9(16-13)6-10(15-11)17-8-5-3-2-4-7(8)12/h2-6H,13H2,1H3,(H,14,15,16).
What are the key properties of [6-(2-chlorophenoxy)-2-methylsulfanylpyrimidin-4-yl]hydrazine?
[6-(2-chlorophenoxy)-2-methylsulfanylpyrimidin-4-yl]hydrazine has a molecular weight of 282.76 g/mol, XLogP of 2.93, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2-chlorophenoxy)-2-methylsulfanylpyrimidin-4-yl]hydrazine is sourced from PubChem (CID 80915353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).