6-N-methyl-2-N-[2-(trifluoromethylsulfanyl)ethyl]pyrazine-2,6-diamine

C8H11F3N4S — CID 106433932

IUPAC6-N-methyl-2-N-[2-(trifluoromethylsulfanyl)ethyl]pyrazine-2,6-diamine
SMILESCNc1cncc(NCCSC(F)(F)F)n1
InChIInChI=1S/C8H11F3N4S/c1-12-6-4-13-5-7(15-6)14-2-3-16-8(9,10)11/h4-5H,2-3H2,1H3,(H2,12,14,15)
InChIKeyHFJHHKGQGWBZCP-UHFFFAOYSA-N
MW252.26 g/mol
LogP2.18
Rot. Bonds5

About 6-N-methyl-2-N-[2-(trifluoromethylsulfanyl)ethyl]pyrazine-2,6-diamine

6-N-methyl-2-N-[2-(trifluoromethylsulfanyl)ethyl]pyrazine-2,6-diamine (PubChem CID 106433932) has the molecular formula C8H11F3N4S and a molecular weight of 252.26 g/mol. Its IUPAC name is 6-N-methyl-2-N-[2-(trifluoromethylsulfanyl)ethyl]pyrazine-2,6-diamine.

Molecular Properties

Compound Name6-N-methyl-2-N-[2-(trifluoromethylsulfanyl)ethyl]pyrazine-2,6-diamine
PubChem CID106433932
Molecular FormulaC8H11F3N4S
Molecular Weight252.26 g/mol
Exact Mass252.07
IUPAC Name6-N-methyl-2-N-[2-(trifluoromethylsulfanyl)ethyl]pyrazine-2,6-diamine
SMILESCNc1cncc(NCCSC(F)(F)F)n1
InChIInChI=1S/C8H11F3N4S/c1-12-6-4-13-5-7(15-6)14-2-3-16-8(9,10)11/h4-5H,2-3H2,1H3,(H2,12,14,15)
InChIKeyHFJHHKGQGWBZCP-UHFFFAOYSA-N
XLogP2.18
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.26
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-[2-(trifluoromethylsulfanyl)ethylamino]pyrazine-2-carboxylic acid
CID 106429575
6-N-methyl-2-methylsulfanyl-4-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidine-4,6-diamine
CID 106433976
6-(2-methylimidazol-1-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]pyrazin-2-amine
CID 91651045
6-N-methyl-2-N-(2,2,3,3-tetrafluoropropyl)pyrazine-2,6-diamine
CID 106296079
2-methyl-4-[2-(trifluoromethylsulfanyl)ethylamino]-1H-pyrimidin-6-one
CID 136842336
2-methyl-6-N-propyl-4-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidine-4,6-diamine
CID 106434022
3,5-dichloro-2-N-methyl-6-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-2,6-diamine
CID 114188400
6-hydrazinyl-4-(trifluoromethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]pyridin-2-amine
CID 106434144
6-N-methyl-2-N-(2-phenylethyl)pyrazine-2,6-diamine
CID 80778395
5-methyl-2-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-2,4-diamine
CID 106426462
6-bromo-2-tert-butyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidin-4-amine
CID 106432146
6-N-propyl-2-N-(2,2,2-trifluoroethyl)pyrazine-2,6-diamine
CID 80785273

Frequently Asked Questions

What is the IUPAC name of 6-N-methyl-2-N-[2-(trifluoromethylsulfanyl)ethyl]pyrazine-2,6-diamine?
The IUPAC name of 6-N-methyl-2-N-[2-(trifluoromethylsulfanyl)ethyl]pyrazine-2,6-diamine (CID 106433932) is 6-N-methyl-2-N-[2-(trifluoromethylsulfanyl)ethyl]pyrazine-2,6-diamine.
What is the SMILES notation for 6-N-methyl-2-N-[2-(trifluoromethylsulfanyl)ethyl]pyrazine-2,6-diamine?
The canonical SMILES for 6-N-methyl-2-N-[2-(trifluoromethylsulfanyl)ethyl]pyrazine-2,6-diamine is CNc1cncc(NCCSC(F)(F)F)n1.
What is the InChIKey of 6-N-methyl-2-N-[2-(trifluoromethylsulfanyl)ethyl]pyrazine-2,6-diamine?
The InChIKey is HFJHHKGQGWBZCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N4S/c1-12-6-4-13-5-7(15-6)14-2-3-16-8(9,10)11/h4-5H,2-3H2,1H3,(H2,12,14,15).
What are the key properties of 6-N-methyl-2-N-[2-(trifluoromethylsulfanyl)ethyl]pyrazine-2,6-diamine?
6-N-methyl-2-N-[2-(trifluoromethylsulfanyl)ethyl]pyrazine-2,6-diamine has a molecular weight of 252.26 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-methyl-2-N-[2-(trifluoromethylsulfanyl)ethyl]pyrazine-2,6-diamine is sourced from PubChem (CID 106433932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).