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

C8H11F3N4S — CID 114567865

IUPAC[4-propylsulfanyl-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
SMILESCCCSc1cc(C(F)(F)F)nc(NN)n1
InChIInChI=1S/C8H11F3N4S/c1-2-3-16-6-4-5(8(9,10)11)13-7(14-6)15-12/h4H,2-3,12H2,1H3,(H,13,14,15)
InChIKeyYDTCCYZKEAMYFO-UHFFFAOYSA-N
MW252.26 g/mol
LogP2.28
Rot. Bonds4

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

[4-propylsulfanyl-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine (PubChem CID 114567865) has the molecular formula C8H11F3N4S and a molecular weight of 252.26 g/mol. Its IUPAC name is [4-propylsulfanyl-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine.

Molecular Properties

Compound Name[4-propylsulfanyl-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
PubChem CID114567865
Molecular FormulaC8H11F3N4S
Molecular Weight252.26 g/mol
Exact Mass252.07
IUPAC Name[4-propylsulfanyl-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
SMILESCCCSc1cc(C(F)(F)F)nc(NN)n1
InChIInChI=1S/C8H11F3N4S/c1-2-3-16-6-4-5(8(9,10)11)13-7(14-6)15-12/h4H,2-3,12H2,1H3,(H,13,14,15)
InChIKeyYDTCCYZKEAMYFO-UHFFFAOYSA-N
XLogP2.28
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.26
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

4-(Butylsulfanyl)-6-methylpyrimidin-2-amine
CID 237930
4-(Methylthio)-6-(trifluoromethyl)pyrimidin-2-amine
CID 83916672
4-Methyl-6-(methylsulfanyl)pyrimidin-2-amine
CID 237638
4-(Ethylsulfanyl)-6-methylpyrimidin-2-amine
CID 237639
2,4-Bis(difluoromethylsulfanyl)-6-methylpyrimidine
CID 12276599
2,4-Bis(ethylsulfanyl)-6-methylpyrimidine
CID 12438218
2-Chloro-4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecylsulfanyl)-6-methylpyrimidine
CID 11284923
2-Methyl-4-methylsulfanyl-6-(trifluoromethyl)pyrimidine
CID 18711427
2-Amino-4-fluoromethyl-6-methylthiopyrimidine
CID 20153491
2-Chloro-4-methylsulfanyl-6-(trifluoromethyl)pyrimidine
CID 114563022
4-Ethylsulfanyl-2-propan-2-yl-6-(trifluoromethyl)pyrimidine
CID 155380164
4-Propylsulfanyl-6-(trifluoromethyl)pyrimidine
CID 172328547

Frequently Asked Questions

What is the IUPAC name of [4-propylsulfanyl-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine?
The IUPAC name of [4-propylsulfanyl-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine (CID 114567865) is [4-propylsulfanyl-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine.
What is the SMILES notation for [4-propylsulfanyl-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine?
The canonical SMILES for [4-propylsulfanyl-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine is CCCSc1cc(C(F)(F)F)nc(NN)n1.
What is the InChIKey of [4-propylsulfanyl-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine?
The InChIKey is YDTCCYZKEAMYFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N4S/c1-2-3-16-6-4-5(8(9,10)11)13-7(14-6)15-12/h4H,2-3,12H2,1H3,(H,13,14,15).
What are the key properties of [4-propylsulfanyl-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine?
[4-propylsulfanyl-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine has a molecular weight of 252.26 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-propylsulfanyl-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine is sourced from PubChem (CID 114567865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).