[2-methylsulfanyl-6-[4-(trifluoromethyl)phenoxy]pyrimidin-4-yl]hydrazine

C12H11F3N4OS — CID 80910588

IUPAC[2-methylsulfanyl-6-[4-(trifluoromethyl)phenoxy]pyrimidin-4-yl]hydrazine
SMILESCSc1nc(NN)cc(Oc2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C12H11F3N4OS/c1-21-11-17-9(19-16)6-10(18-11)20-8-4-2-7(3-5-8)12(13,14)15/h2-6H,16H2,1H3,(H,17,18,19)
InChIKeyLAGZBFSQTLPYPU-UHFFFAOYSA-N
MW316.31 g/mol
LogP3.30
Rot. Bonds4

About [2-methylsulfanyl-6-[4-(trifluoromethyl)phenoxy]pyrimidin-4-yl]hydrazine

[2-methylsulfanyl-6-[4-(trifluoromethyl)phenoxy]pyrimidin-4-yl]hydrazine (PubChem CID 80910588) has the molecular formula C12H11F3N4OS and a molecular weight of 316.31 g/mol. Its IUPAC name is [2-methylsulfanyl-6-[4-(trifluoromethyl)phenoxy]pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[2-methylsulfanyl-6-[4-(trifluoromethyl)phenoxy]pyrimidin-4-yl]hydrazine
PubChem CID80910588
Molecular FormulaC12H11F3N4OS
Molecular Weight316.31 g/mol
Exact Mass316.06
IUPAC Name[2-methylsulfanyl-6-[4-(trifluoromethyl)phenoxy]pyrimidin-4-yl]hydrazine
SMILESCSc1nc(NN)cc(Oc2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C12H11F3N4OS/c1-21-11-17-9(19-16)6-10(18-11)20-8-4-2-7(3-5-8)12(13,14)15/h2-6H,16H2,1H3,(H,17,18,19)
InChIKeyLAGZBFSQTLPYPU-UHFFFAOYSA-N
XLogP3.30
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.31
LogP ≤ 53.30
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-chloro-4-fluorophenoxy)-2-methylsulfanylpyrimidin-4-yl]hydrazine
CID 80921341
[6-(4-fluorophenoxy)-4-(trifluoromethyl)-2-pyridinyl]hydrazine
CID 102721265
[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
[6-(4-methylphenoxy)-4-(trifluoromethyl)-2-pyridinyl]hydrazine
CID 102721247
[6-(3-bromo-5-fluorophenoxy)-2-methylsulfanylpyrimidin-4-yl]hydrazine
CID 81325647
[6-[4-(trifluoromethyl)phenoxy]pyrimidin-4-yl]hydrazine
CID 80918117
(6-methoxy-2-methylsulfanylpyrimidin-4-yl)hydrazine
CID 80909923
3-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)oxy-N,N-dimethylaniline
CID 80920296
[2-methylsulfanyl-6-(2,3,6-trimethylphenoxy)pyrimidin-4-yl]hydrazine
CID 80916728
[2-methylsulfanyl-6-(2,4,5-trichlorophenoxy)pyrimidin-4-yl]hydrazine
CID 80918206
[6-(2-chlorophenoxy)-2-methylsulfanylpyrimidin-4-yl]hydrazine
CID 80915353

Frequently Asked Questions

What is the IUPAC name of [2-methylsulfanyl-6-[4-(trifluoromethyl)phenoxy]pyrimidin-4-yl]hydrazine?
The IUPAC name of [2-methylsulfanyl-6-[4-(trifluoromethyl)phenoxy]pyrimidin-4-yl]hydrazine (CID 80910588) is [2-methylsulfanyl-6-[4-(trifluoromethyl)phenoxy]pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [2-methylsulfanyl-6-[4-(trifluoromethyl)phenoxy]pyrimidin-4-yl]hydrazine?
The canonical SMILES for [2-methylsulfanyl-6-[4-(trifluoromethyl)phenoxy]pyrimidin-4-yl]hydrazine is CSc1nc(NN)cc(Oc2ccc(C(F)(F)F)cc2)n1.
What is the InChIKey of [2-methylsulfanyl-6-[4-(trifluoromethyl)phenoxy]pyrimidin-4-yl]hydrazine?
The InChIKey is LAGZBFSQTLPYPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N4OS/c1-21-11-17-9(19-16)6-10(18-11)20-8-4-2-7(3-5-8)12(13,14)15/h2-6H,16H2,1H3,(H,17,18,19).
What are the key properties of [2-methylsulfanyl-6-[4-(trifluoromethyl)phenoxy]pyrimidin-4-yl]hydrazine?
[2-methylsulfanyl-6-[4-(trifluoromethyl)phenoxy]pyrimidin-4-yl]hydrazine has a molecular weight of 316.31 g/mol, XLogP of 3.30, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methylsulfanyl-6-[4-(trifluoromethyl)phenoxy]pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 80910588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).