[4-(2,5-dimethylphenyl)sulfanyl-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine

C13H13F3N4S — CID 114567852

IUPAC[4-(2,5-dimethylphenyl)sulfanyl-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
SMILESCc1ccc(C)c(Sc2cc(C(F)(F)F)nc(NN)n2)c1
InChIInChI=1S/C13H13F3N4S/c1-7-3-4-8(2)9(5-7)21-11-6-10(13(14,15)16)18-12(19-11)20-17/h3-6H,17H2,1-2H3,(H,18,19,20)
InChIKeyJKWSHTZVEVEHNM-UHFFFAOYSA-N
MW314.34 g/mol
LogP3.55
Rot. Bonds3

About [4-(2,5-dimethylphenyl)sulfanyl-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine

[4-(2,5-dimethylphenyl)sulfanyl-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine (PubChem CID 114567852) has the molecular formula C13H13F3N4S and a molecular weight of 314.34 g/mol. Its IUPAC name is [4-(2,5-dimethylphenyl)sulfanyl-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine.

Molecular Properties

Compound Name[4-(2,5-dimethylphenyl)sulfanyl-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
PubChem CID114567852
Molecular FormulaC13H13F3N4S
Molecular Weight314.34 g/mol
Exact Mass314.08
IUPAC Name[4-(2,5-dimethylphenyl)sulfanyl-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
SMILESCc1ccc(C)c(Sc2cc(C(F)(F)F)nc(NN)n2)c1
InChIInChI=1S/C13H13F3N4S/c1-7-3-4-8(2)9(5-7)21-11-6-10(13(14,15)16)18-12(19-11)20-17/h3-6H,17H2,1-2H3,(H,18,19,20)
InChIKeyJKWSHTZVEVEHNM-UHFFFAOYSA-N
XLogP3.55
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

[4-(4-fluorophenyl)sulfanyl-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
CID 114567844
[4-(2,4-dimethylphenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
CID 114567733
N-(2-fluoro-4-methylphenyl)-2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-amine
CID 114567318
[4-propylsulfanyl-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
CID 114567865
4-amino-2-[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-1H-pyrimidin-6-one
CID 136955868
[4-(2-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
CID 91926616
[4-(2,2-difluoroethoxy)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
CID 114567822
2-hydrazinyl-N-(2-methylpropyl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 114567470
[4-(3,5-dimethylphenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
CID 114567743
6-(2,4-dimethylphenyl)sulfanyl-4-(trifluoromethyl)pyridin-2-amine
CID 102720134
6-(2,5-dimethylphenyl)sulfanyl-N-methylpyridin-2-amine
CID 80893702
[4-(oxolan-2-ylmethylsulfanyl)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
CID 106498029

Frequently Asked Questions

What is the IUPAC name of [4-(2,5-dimethylphenyl)sulfanyl-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine?
The IUPAC name of [4-(2,5-dimethylphenyl)sulfanyl-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine (CID 114567852) is [4-(2,5-dimethylphenyl)sulfanyl-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine.
What is the SMILES notation for [4-(2,5-dimethylphenyl)sulfanyl-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine?
The canonical SMILES for [4-(2,5-dimethylphenyl)sulfanyl-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine is Cc1ccc(C)c(Sc2cc(C(F)(F)F)nc(NN)n2)c1.
What is the InChIKey of [4-(2,5-dimethylphenyl)sulfanyl-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine?
The InChIKey is JKWSHTZVEVEHNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N4S/c1-7-3-4-8(2)9(5-7)21-11-6-10(13(14,15)16)18-12(19-11)20-17/h3-6H,17H2,1-2H3,(H,18,19,20).
What are the key properties of [4-(2,5-dimethylphenyl)sulfanyl-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine?
[4-(2,5-dimethylphenyl)sulfanyl-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine has a molecular weight of 314.34 g/mol, XLogP of 3.55, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,5-dimethylphenyl)sulfanyl-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine is sourced from PubChem (CID 114567852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).