[6-propan-2-ylsulfanyl-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine

C8H11F3N4S — CID 106776574

IUPAC[6-propan-2-ylsulfanyl-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
SMILESCC(C)Sc1cc(NN)nc(C(F)(F)F)n1
InChIInChI=1S/C8H11F3N4S/c1-4(2)16-6-3-5(15-12)13-7(14-6)8(9,10)11/h3-4H,12H2,1-2H3,(H,13,14,15)
InChIKeyYCFADAAAYNHTOE-UHFFFAOYSA-N
MW252.27 g/mol
LogP2.28
Rot. Bonds3

About [6-propan-2-ylsulfanyl-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine

[6-propan-2-ylsulfanyl-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine (PubChem CID 106776574) has the molecular formula C8H11F3N4S and a molecular weight of 252.27 g/mol. Its IUPAC name is [6-propan-2-ylsulfanyl-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[6-propan-2-ylsulfanyl-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
PubChem CID106776574
Molecular FormulaC8H11F3N4S
Molecular Weight252.27 g/mol
Exact Mass252.07
IUPAC Name[6-propan-2-ylsulfanyl-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
SMILESCC(C)Sc1cc(NN)nc(C(F)(F)F)n1
InChIInChI=1S/C8H11F3N4S/c1-4(2)16-6-3-5(15-12)13-7(14-6)8(9,10)11/h3-4H,12H2,1-2H3,(H,13,14,15)
InChIKeyYCFADAAAYNHTOE-UHFFFAOYSA-N
XLogP2.28
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 52.28
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

[6-(3-methylbutan-2-ylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
CID 107766272
[6-(2,5-difluorophenyl)sulfanyl-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
CID 106776561
6-hydrazinyl-N-methyl-N-propan-2-yl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106775973
[6-(4-bromophenyl)sulfanyl-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
CID 106776524
6-hydrazinyl-N,N-dimethyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106775982
N-(3-ethylpentan-2-yl)-6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106775723
6-hydrazinyl-N-(2,2,3,3-tetrafluoropropyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106294493
3-[[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]amino]-2-methylsulfanylbutan-1-ol
CID 106163726
N-butan-2-yl-N-ethyl-6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106775326
(2-tert-butyl-6-methylsulfanylpyrimidin-4-yl)hydrazine
CID 80979490
6-(3-methylbutan-2-ylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 107765563
2-[[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]amino]-N,N-dimethylpropanamide
CID 106775480

Frequently Asked Questions

What is the IUPAC name of [6-propan-2-ylsulfanyl-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine?
The IUPAC name of [6-propan-2-ylsulfanyl-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine (CID 106776574) is [6-propan-2-ylsulfanyl-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [6-propan-2-ylsulfanyl-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine?
The canonical SMILES for [6-propan-2-ylsulfanyl-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine is CC(C)Sc1cc(NN)nc(C(F)(F)F)n1.
What is the InChIKey of [6-propan-2-ylsulfanyl-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine?
The InChIKey is YCFADAAAYNHTOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N4S/c1-4(2)16-6-3-5(15-12)13-7(14-6)8(9,10)11/h3-4H,12H2,1-2H3,(H,13,14,15).
What are the key properties of [6-propan-2-ylsulfanyl-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine?
[6-propan-2-ylsulfanyl-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine has a molecular weight of 252.27 g/mol, XLogP of 2.28, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-propan-2-ylsulfanyl-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 106776574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).