5-methyl-2-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-2,4-diamine

C9H12F3N3S — CID 106426462

IUPAC5-methyl-2-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-2,4-diamine
SMILESCc1cnc(NCCSC(F)(F)F)cc1N
InChIInChI=1S/C9H12F3N3S/c1-6-5-15-8(4-7(6)13)14-2-3-16-9(10,11)12/h4-5H,2-3H2,1H3,(H3,13,14,15)
InChIKeyRHDQTVUDGSRWFE-UHFFFAOYSA-N
MW251.28 g/mol
LogP2.64
Rot. Bonds4

About 5-methyl-2-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-2,4-diamine

5-methyl-2-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-2,4-diamine (PubChem CID 106426462) has the molecular formula C9H12F3N3S and a molecular weight of 251.28 g/mol. Its IUPAC name is 5-methyl-2-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-2,4-diamine.

Molecular Properties

Compound Name5-methyl-2-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-2,4-diamine
PubChem CID106426462
Molecular FormulaC9H12F3N3S
Molecular Weight251.28 g/mol
Exact Mass251.07
IUPAC Name5-methyl-2-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-2,4-diamine
SMILESCc1cnc(NCCSC(F)(F)F)cc1N
InChIInChI=1S/C9H12F3N3S/c1-6-5-15-8(4-7(6)13)14-2-3-16-9(10,11)12/h4-5H,2-3H2,1H3,(H3,13,14,15)
InChIKeyRHDQTVUDGSRWFE-UHFFFAOYSA-N
XLogP2.64
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 52.64
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

ethyl 5-amino-2-[2-(trifluoromethylsulfanyl)ethylamino]pyridine-4-carboxylate
CID 106432611
2-N-(2,2-difluoroethyl)-5-methylpyridine-2,4-diamine
CID 83266255
4-methyl-2-N-(2-methylsulfanylethyl)pyridine-2,5-diamine
CID 79176053
5-[(4-amino-5-methyl-2-pyridinyl)amino]pentanamide
CID 106234120
5-methyl-2-N-(3-methylpentan-3-yl)pyridine-2,4-diamine
CID 106328082
2-methyl-6-N-propyl-4-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidine-4,6-diamine
CID 106434022
2-[(4-amino-5-methyl-2-pyridinyl)amino]-2-methylpropane-1,3-diol
CID 83265169
2-N-(2,3-dimethylbutyl)-5-methylpyridine-2,4-diamine
CID 83266034
6-(trifluoromethyl)-4-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidine-2,4-diamine
CID 106434004
3-[(4-amino-5-methyl-2-pyridinyl)amino]-2,2-dimethylpropanamide
CID 106275165
5-methyl-2-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-2,4-diamine
CID 83266029
6-N-methyl-2-N-[2-(trifluoromethylsulfanyl)ethyl]pyrazine-2,6-diamine
CID 106433932

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-2,4-diamine?
The IUPAC name of 5-methyl-2-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-2,4-diamine (CID 106426462) is 5-methyl-2-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-2,4-diamine.
What is the SMILES notation for 5-methyl-2-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-2,4-diamine?
The canonical SMILES for 5-methyl-2-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-2,4-diamine is Cc1cnc(NCCSC(F)(F)F)cc1N.
What is the InChIKey of 5-methyl-2-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-2,4-diamine?
The InChIKey is RHDQTVUDGSRWFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3S/c1-6-5-15-8(4-7(6)13)14-2-3-16-9(10,11)12/h4-5H,2-3H2,1H3,(H3,13,14,15).
What are the key properties of 5-methyl-2-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-2,4-diamine?
5-methyl-2-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-2,4-diamine has a molecular weight of 251.28 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-2,4-diamine is sourced from PubChem (CID 106426462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).