[2-methylsulfanyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-yl]hydrazine

C8H10F4N4OS — CID 80913891

IUPAC[2-methylsulfanyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-yl]hydrazine
SMILESCSc1nc(NN)cc(OCC(F)(F)C(F)F)n1
InChIInChI=1S/C8H10F4N4OS/c1-18-7-14-4(16-13)2-5(15-7)17-3-8(11,12)6(9)10/h2,6H,3,13H2,1H3,(H,14,15,16)
InChIKeyJNMZFALRUGMBMJ-UHFFFAOYSA-N
MW286.25 g/mol
LogP1.76
Rot. Bonds6

About [2-methylsulfanyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-yl]hydrazine

[2-methylsulfanyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-yl]hydrazine (PubChem CID 80913891) has the molecular formula C8H10F4N4OS and a molecular weight of 286.25 g/mol. Its IUPAC name is [2-methylsulfanyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[2-methylsulfanyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-yl]hydrazine
PubChem CID80913891
Molecular FormulaC8H10F4N4OS
Molecular Weight286.25 g/mol
Exact Mass286.05
IUPAC Name[2-methylsulfanyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-yl]hydrazine
SMILESCSc1nc(NN)cc(OCC(F)(F)C(F)F)n1
InChIInChI=1S/C8H10F4N4OS/c1-18-7-14-4(16-13)2-5(15-7)17-3-8(11,12)6(9)10/h2,6H,3,13H2,1H3,(H,14,15,16)
InChIKeyJNMZFALRUGMBMJ-UHFFFAOYSA-N
XLogP1.76
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.25
LogP ≤ 51.76
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'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

(6-methoxy-2-methylsulfanylpyrimidin-4-yl)hydrazine
CID 80909923
3-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)oxy-N,N-dimethylpropan-1-amine
CID 80920197
[2-methylsulfanyl-6-[4-(trifluoromethyl)phenoxy]pyrimidin-4-yl]hydrazine
CID 80910588
6-(2,2-difluoroethoxy)-N-ethyl-2-methylsulfanylpyrimidin-4-amine
CID 82010545
2-tert-butyl-N-ethyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-amine
CID 80956887
[6-(2,5-dibromo-4-methoxyphenoxy)-2-methylsulfanylpyrimidin-4-yl]hydrazine
CID 80924928
[2-tert-butyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]hydrazine
CID 80969768
2-cyclopropyl-N-ethyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-amine
CID 80965930
[2-methylsulfanyl-6-(2,4,5-trichlorophenoxy)pyrimidin-4-yl]hydrazine
CID 80918206
2-[(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)amino]propan-1-ol
CID 80907395
[6-(3-bromo-5-fluorophenoxy)-2-methylsulfanylpyrimidin-4-yl]hydrazine
CID 81325647
[6-(3-chloro-4-fluorophenoxy)-2-methylsulfanylpyrimidin-4-yl]hydrazine
CID 80921341

Frequently Asked Questions

What is the IUPAC name of [2-methylsulfanyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-yl]hydrazine?
The IUPAC name of [2-methylsulfanyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-yl]hydrazine (CID 80913891) is [2-methylsulfanyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [2-methylsulfanyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-yl]hydrazine?
The canonical SMILES for [2-methylsulfanyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-yl]hydrazine is CSc1nc(NN)cc(OCC(F)(F)C(F)F)n1.
What is the InChIKey of [2-methylsulfanyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-yl]hydrazine?
The InChIKey is JNMZFALRUGMBMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F4N4OS/c1-18-7-14-4(16-13)2-5(15-7)17-3-8(11,12)6(9)10/h2,6H,3,13H2,1H3,(H,14,15,16).
What are the key properties of [2-methylsulfanyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-yl]hydrazine?
[2-methylsulfanyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-yl]hydrazine has a molecular weight of 286.25 g/mol, XLogP of 1.76, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methylsulfanyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 80913891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).