[2-methylsulfanyl-6-(2,4,5-trichlorophenoxy)pyrimidin-4-yl]hydrazine

C11H9Cl3N4OS — CID 80918206

IUPAC[2-methylsulfanyl-6-(2,4,5-trichlorophenoxy)pyrimidin-4-yl]hydrazine
SMILESCSc1nc(NN)cc(Oc2cc(Cl)c(Cl)cc2Cl)n1
InChIInChI=1S/C11H9Cl3N4OS/c1-20-11-16-9(18-15)4-10(17-11)19-8-3-6(13)5(12)2-7(8)14/h2-4H,15H2,1H3,(H,16,17,18)
InChIKeySIBOYNQOJINUFR-UHFFFAOYSA-N
MW351.65 g/mol
LogP4.24
Rot. Bonds4

About [2-methylsulfanyl-6-(2,4,5-trichlorophenoxy)pyrimidin-4-yl]hydrazine

[2-methylsulfanyl-6-(2,4,5-trichlorophenoxy)pyrimidin-4-yl]hydrazine (PubChem CID 80918206) has the molecular formula C11H9Cl3N4OS and a molecular weight of 351.65 g/mol. Its IUPAC name is [2-methylsulfanyl-6-(2,4,5-trichlorophenoxy)pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[2-methylsulfanyl-6-(2,4,5-trichlorophenoxy)pyrimidin-4-yl]hydrazine
PubChem CID80918206
Molecular FormulaC11H9Cl3N4OS
Molecular Weight351.65 g/mol
Exact Mass349.96
IUPAC Name[2-methylsulfanyl-6-(2,4,5-trichlorophenoxy)pyrimidin-4-yl]hydrazine
SMILESCSc1nc(NN)cc(Oc2cc(Cl)c(Cl)cc2Cl)n1
InChIInChI=1S/C11H9Cl3N4OS/c1-20-11-16-9(18-15)4-10(17-11)19-8-3-6(13)5(12)2-7(8)14/h2-4H,15H2,1H3,(H,16,17,18)
InChIKeySIBOYNQOJINUFR-UHFFFAOYSA-N
XLogP4.24
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.65
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[6-(2-chlorophenoxy)-2-methylsulfanylpyrimidin-4-yl]hydrazine
CID 80915353
[6-(2,5-dibromo-4-methoxyphenoxy)-2-methylsulfanylpyrimidin-4-yl]hydrazine
CID 80924928
[6-(3-chloro-4-fluorophenoxy)-2-methylsulfanylpyrimidin-4-yl]hydrazine
CID 80921341
(6-methoxy-2-methylsulfanylpyrimidin-4-yl)hydrazine
CID 80909923
[6-(2-ethylphenoxy)-2-methylsulfanylpyrimidin-4-yl]hydrazine
CID 80916805
[2-methylsulfanyl-6-(2,3,6-trimethylphenoxy)pyrimidin-4-yl]hydrazine
CID 80916728
6-(2,5-dichlorophenoxy)-N-ethyl-2-methylsulfanylpyrimidin-4-amine
CID 80862821
[6-(3-bromo-5-fluorophenoxy)-2-methylsulfanylpyrimidin-4-yl]hydrazine
CID 81325647
[2-methylsulfanyl-6-[4-(trifluoromethyl)phenoxy]pyrimidin-4-yl]hydrazine
CID 80910588
4-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)oxy-3,5-dimethylbenzonitrile
CID 80925312
3-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)oxy-N,N-dimethylpropan-1-amine
CID 80920197
[6-(2,3-dihydro-1H-inden-5-yloxy)-2-methylsulfanylpyrimidin-4-yl]hydrazine
CID 80917282

Frequently Asked Questions

What is the IUPAC name of [2-methylsulfanyl-6-(2,4,5-trichlorophenoxy)pyrimidin-4-yl]hydrazine?
The IUPAC name of [2-methylsulfanyl-6-(2,4,5-trichlorophenoxy)pyrimidin-4-yl]hydrazine (CID 80918206) is [2-methylsulfanyl-6-(2,4,5-trichlorophenoxy)pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [2-methylsulfanyl-6-(2,4,5-trichlorophenoxy)pyrimidin-4-yl]hydrazine?
The canonical SMILES for [2-methylsulfanyl-6-(2,4,5-trichlorophenoxy)pyrimidin-4-yl]hydrazine is CSc1nc(NN)cc(Oc2cc(Cl)c(Cl)cc2Cl)n1.
What is the InChIKey of [2-methylsulfanyl-6-(2,4,5-trichlorophenoxy)pyrimidin-4-yl]hydrazine?
The InChIKey is SIBOYNQOJINUFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl3N4OS/c1-20-11-16-9(18-15)4-10(17-11)19-8-3-6(13)5(12)2-7(8)14/h2-4H,15H2,1H3,(H,16,17,18).
What are the key properties of [2-methylsulfanyl-6-(2,4,5-trichlorophenoxy)pyrimidin-4-yl]hydrazine?
[2-methylsulfanyl-6-(2,4,5-trichlorophenoxy)pyrimidin-4-yl]hydrazine has a molecular weight of 351.65 g/mol, XLogP of 4.24, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methylsulfanyl-6-(2,4,5-trichlorophenoxy)pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 80918206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).