[6-(3-chloro-4-fluorophenoxy)-2-methylsulfanylpyrimidin-4-yl]hydrazine

C11H10ClFN4OS — CID 80921341

IUPAC[6-(3-chloro-4-fluorophenoxy)-2-methylsulfanylpyrimidin-4-yl]hydrazine
SMILESCSc1nc(NN)cc(Oc2ccc(F)c(Cl)c2)n1
InChIInChI=1S/C11H10ClFN4OS/c1-19-11-15-9(17-14)5-10(16-11)18-6-2-3-8(13)7(12)4-6/h2-5H,14H2,1H3,(H,15,16,17)
InChIKeyPPTZUZGTCMKJMV-UHFFFAOYSA-N
MW300.75 g/mol
LogP3.07
Rot. Bonds4

About [6-(3-chloro-4-fluorophenoxy)-2-methylsulfanylpyrimidin-4-yl]hydrazine

[6-(3-chloro-4-fluorophenoxy)-2-methylsulfanylpyrimidin-4-yl]hydrazine (PubChem CID 80921341) has the molecular formula C11H10ClFN4OS and a molecular weight of 300.75 g/mol. Its IUPAC name is [6-(3-chloro-4-fluorophenoxy)-2-methylsulfanylpyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[6-(3-chloro-4-fluorophenoxy)-2-methylsulfanylpyrimidin-4-yl]hydrazine
PubChem CID80921341
Molecular FormulaC11H10ClFN4OS
Molecular Weight300.75 g/mol
Exact Mass300.02
IUPAC Name[6-(3-chloro-4-fluorophenoxy)-2-methylsulfanylpyrimidin-4-yl]hydrazine
SMILESCSc1nc(NN)cc(Oc2ccc(F)c(Cl)c2)n1
InChIInChI=1S/C11H10ClFN4OS/c1-19-11-15-9(17-14)5-10(16-11)18-6-2-3-8(13)7(12)4-6/h2-5H,14H2,1H3,(H,15,16,17)
InChIKeyPPTZUZGTCMKJMV-UHFFFAOYSA-N
XLogP3.07
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.75
LogP ≤ 53.07
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-[4-(trifluoromethyl)phenoxy]pyrimidin-4-yl]hydrazine
CID 80910588
[2-methylsulfanyl-6-(2,4,5-trichlorophenoxy)pyrimidin-4-yl]hydrazine
CID 80918206
[6-(2-chlorophenoxy)-2-methylsulfanylpyrimidin-4-yl]hydrazine
CID 80915353
[2-methylsulfanyl-6-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pyrimidin-4-yl]hydrazine
CID 80920614
[6-(2,3-dihydro-1H-inden-5-yloxy)-2-methylsulfanylpyrimidin-4-yl]hydrazine
CID 80917282
3-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)oxy-N,N-dimethylaniline
CID 80920296
[6-(3-bromo-5-fluorophenoxy)-2-methylsulfanylpyrimidin-4-yl]hydrazine
CID 81325647
6-(3-chloro-4-fluorophenoxy)-N,2-dimethylpyrimidin-4-amine
CID 80876593
(6-methoxy-2-methylsulfanylpyrimidin-4-yl)hydrazine
CID 80909923
[2-methylsulfanyl-6-(2,3,6-trimethylphenoxy)pyrimidin-4-yl]hydrazine
CID 80916728
6-(3-chloro-4-fluorophenoxy)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106774577
2-tert-butyl-6-(3-chloro-4-fluorophenoxy)-N-methylpyrimidin-4-amine
CID 80965877

Frequently Asked Questions

What is the IUPAC name of [6-(3-chloro-4-fluorophenoxy)-2-methylsulfanylpyrimidin-4-yl]hydrazine?
The IUPAC name of [6-(3-chloro-4-fluorophenoxy)-2-methylsulfanylpyrimidin-4-yl]hydrazine (CID 80921341) is [6-(3-chloro-4-fluorophenoxy)-2-methylsulfanylpyrimidin-4-yl]hydrazine.
What is the SMILES notation for [6-(3-chloro-4-fluorophenoxy)-2-methylsulfanylpyrimidin-4-yl]hydrazine?
The canonical SMILES for [6-(3-chloro-4-fluorophenoxy)-2-methylsulfanylpyrimidin-4-yl]hydrazine is CSc1nc(NN)cc(Oc2ccc(F)c(Cl)c2)n1.
What is the InChIKey of [6-(3-chloro-4-fluorophenoxy)-2-methylsulfanylpyrimidin-4-yl]hydrazine?
The InChIKey is PPTZUZGTCMKJMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClFN4OS/c1-19-11-15-9(17-14)5-10(16-11)18-6-2-3-8(13)7(12)4-6/h2-5H,14H2,1H3,(H,15,16,17).
What are the key properties of [6-(3-chloro-4-fluorophenoxy)-2-methylsulfanylpyrimidin-4-yl]hydrazine?
[6-(3-chloro-4-fluorophenoxy)-2-methylsulfanylpyrimidin-4-yl]hydrazine has a molecular weight of 300.75 g/mol, XLogP of 3.07, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3-chloro-4-fluorophenoxy)-2-methylsulfanylpyrimidin-4-yl]hydrazine is sourced from PubChem (CID 80921341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).