[6-(3-methylbutan-2-ylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine

C10H15F3N4S — CID 107766272

IUPAC[6-(3-methylbutan-2-ylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
SMILESCC(C)C(C)Sc1cc(NN)nc(C(F)(F)F)n1
InChIInChI=1S/C10H15F3N4S/c1-5(2)6(3)18-8-4-7(17-14)15-9(16-8)10(11,12)13/h4-6H,14H2,1-3H3,(H,15,16,17)
InChIKeyOPOHUSAQNMXXEP-UHFFFAOYSA-N
MW280.32 g/mol
LogP2.92
Rot. Bonds4

About [6-(3-methylbutan-2-ylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine

[6-(3-methylbutan-2-ylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine (PubChem CID 107766272) has the molecular formula C10H15F3N4S and a molecular weight of 280.32 g/mol. Its IUPAC name is [6-(3-methylbutan-2-ylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[6-(3-methylbutan-2-ylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
PubChem CID107766272
Molecular FormulaC10H15F3N4S
Molecular Weight280.32 g/mol
Exact Mass280.10
IUPAC Name[6-(3-methylbutan-2-ylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
SMILESCC(C)C(C)Sc1cc(NN)nc(C(F)(F)F)n1
InChIInChI=1S/C10H15F3N4S/c1-5(2)6(3)18-8-4-7(17-14)15-9(16-8)10(11,12)13/h4-6H,14H2,1-3H3,(H,15,16,17)
InChIKeyOPOHUSAQNMXXEP-UHFFFAOYSA-N
XLogP2.92
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 52.92
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-propan-2-ylsulfanyl-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
CID 106776574
6-(3-methylbutan-2-ylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 107765563
[2-ethyl-6-(3-methylbutan-2-ylsulfanyl)pyrimidin-4-yl]hydrazine
CID 107766316
[2-cyclopropyl-6-(3-methylbutan-2-ylsulfanyl)pyrimidin-4-yl]hydrazine
CID 107766282
[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-(3-methylbutan-2-ylsulfanyl)-4-(trifluoromethyl)pyridin-2-amine
CID 107765534
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

Frequently Asked Questions

What is the IUPAC name of [6-(3-methylbutan-2-ylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine?
The IUPAC name of [6-(3-methylbutan-2-ylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine (CID 107766272) is [6-(3-methylbutan-2-ylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [6-(3-methylbutan-2-ylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine?
The canonical SMILES for [6-(3-methylbutan-2-ylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine is CC(C)C(C)Sc1cc(NN)nc(C(F)(F)F)n1.
What is the InChIKey of [6-(3-methylbutan-2-ylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine?
The InChIKey is OPOHUSAQNMXXEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N4S/c1-5(2)6(3)18-8-4-7(17-14)15-9(16-8)10(11,12)13/h4-6H,14H2,1-3H3,(H,15,16,17).
What are the key properties of [6-(3-methylbutan-2-ylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine?
[6-(3-methylbutan-2-ylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine has a molecular weight of 280.32 g/mol, XLogP of 2.92, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3-methylbutan-2-ylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 107766272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).