3,5-dichloro-2-N-methyl-6-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-2,6-diamine

C9H10Cl2F3N3S — CID 114188400

IUPAC3,5-dichloro-2-N-methyl-6-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-2,6-diamine
SMILESCNc1nc(NCCSC(F)(F)F)c(Cl)cc1Cl
InChIInChI=1S/C9H10Cl2F3N3S/c1-15-7-5(10)4-6(11)8(17-7)16-2-3-18-9(12,13)14/h4H,2-3H2,1H3,(H2,15,16,17)
InChIKeySNACULXTHTYTGS-UHFFFAOYSA-N
MW320.17 g/mol
LogP4.09
Rot. Bonds5

About 3,5-dichloro-2-N-methyl-6-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-2,6-diamine

3,5-dichloro-2-N-methyl-6-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-2,6-diamine (PubChem CID 114188400) has the molecular formula C9H10Cl2F3N3S and a molecular weight of 320.17 g/mol. Its IUPAC name is 3,5-dichloro-2-N-methyl-6-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-2,6-diamine.

Molecular Properties

Compound Name3,5-dichloro-2-N-methyl-6-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-2,6-diamine
PubChem CID114188400
Molecular FormulaC9H10Cl2F3N3S
Molecular Weight320.17 g/mol
Exact Mass318.99
IUPAC Name3,5-dichloro-2-N-methyl-6-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-2,6-diamine
SMILESCNc1nc(NCCSC(F)(F)F)c(Cl)cc1Cl
InChIInChI=1S/C9H10Cl2F3N3S/c1-15-7-5(10)4-6(11)8(17-7)16-2-3-18-9(12,13)14/h4H,2-3H2,1H3,(H2,15,16,17)
InChIKeySNACULXTHTYTGS-UHFFFAOYSA-N
XLogP4.09
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.17
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3,5-dichloro-6-hydrazinyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyridin-2-amine
CID 106434145
3,5-dichloro-6-N-[2-(dimethylamino)ethyl]-2-N-methylpyridine-2,6-diamine
CID 102755513
3,5-dichloro-6-N-decyl-2-N-methylpyridine-2,6-diamine
CID 102759054
1-[[3,5-dichloro-6-(methylamino)-2-pyridinyl]amino]-2-methylpropan-2-ol
CID 102758667
5-chloro-6-(methylamino)-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-3-carboxamide
CID 106433045
3,5-dichloro-6-N-(3-ethoxypropyl)-2-N-methylpyridine-2,6-diamine
CID 102755734
3,5-dichloro-6-N-[2-(3-fluorophenyl)ethyl]-2-N-methylpyridine-2,6-diamine
CID 102756176
2-chloro-6-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 114188160
6-N-methyl-2-N-[2-(trifluoromethylsulfanyl)ethyl]pyrazine-2,6-diamine
CID 106433932
6-N-methyl-2-methylsulfanyl-4-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidine-4,6-diamine
CID 106433976
3,5-dichloro-6-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-N-methylpyridine-2,6-diamine
CID 102760138
3,5-dichloro-2-N-methyl-6-N-[4-[methyl(propan-2-yl)amino]butyl]pyridine-2,6-diamine
CID 102757677

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-2-N-methyl-6-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-2,6-diamine?
The IUPAC name of 3,5-dichloro-2-N-methyl-6-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-2,6-diamine (CID 114188400) is 3,5-dichloro-2-N-methyl-6-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-2,6-diamine.
What is the SMILES notation for 3,5-dichloro-2-N-methyl-6-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-2,6-diamine?
The canonical SMILES for 3,5-dichloro-2-N-methyl-6-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-2,6-diamine is CNc1nc(NCCSC(F)(F)F)c(Cl)cc1Cl.
What is the InChIKey of 3,5-dichloro-2-N-methyl-6-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-2,6-diamine?
The InChIKey is SNACULXTHTYTGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Cl2F3N3S/c1-15-7-5(10)4-6(11)8(17-7)16-2-3-18-9(12,13)14/h4H,2-3H2,1H3,(H2,15,16,17).
What are the key properties of 3,5-dichloro-2-N-methyl-6-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-2,6-diamine?
3,5-dichloro-2-N-methyl-6-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-2,6-diamine has a molecular weight of 320.17 g/mol, XLogP of 4.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-2-N-methyl-6-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-2,6-diamine is sourced from PubChem (CID 114188400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).