6-N-(1-methylsulfanylbutan-2-yl)-4-(trifluoromethyl)pyridine-2,6-diamine

C11H16F3N3S — CID 102719346

IUPAC6-N-(1-methylsulfanylbutan-2-yl)-4-(trifluoromethyl)pyridine-2,6-diamine
SMILESCCC(CSC)Nc1cc(C(F)(F)F)cc(N)n1
InChIInChI=1S/C11H16F3N3S/c1-3-8(6-18-2)16-10-5-7(11(12,13)14)4-9(15)17-10/h4-5,8H,3,6H2,1-2H3,(H3,15,16,17)
InChIKeyCKJNRURJUFMMAO-UHFFFAOYSA-N
MW279.33 g/mol
LogP3.24
Rot. Bonds5

About 6-N-(1-methylsulfanylbutan-2-yl)-4-(trifluoromethyl)pyridine-2,6-diamine

6-N-(1-methylsulfanylbutan-2-yl)-4-(trifluoromethyl)pyridine-2,6-diamine (PubChem CID 102719346) has the molecular formula C11H16F3N3S and a molecular weight of 279.33 g/mol. Its IUPAC name is 6-N-(1-methylsulfanylbutan-2-yl)-4-(trifluoromethyl)pyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-(1-methylsulfanylbutan-2-yl)-4-(trifluoromethyl)pyridine-2,6-diamine
PubChem CID102719346
Molecular FormulaC11H16F3N3S
Molecular Weight279.33 g/mol
Exact Mass279.10
IUPAC Name6-N-(1-methylsulfanylbutan-2-yl)-4-(trifluoromethyl)pyridine-2,6-diamine
SMILESCCC(CSC)Nc1cc(C(F)(F)F)cc(N)n1
InChIInChI=1S/C11H16F3N3S/c1-3-8(6-18-2)16-10-5-7(11(12,13)14)4-9(15)17-10/h4-5,8H,3,6H2,1-2H3,(H3,15,16,17)
InChIKeyCKJNRURJUFMMAO-UHFFFAOYSA-N
XLogP3.24
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.33
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-N-(1-methylsulfanylbutan-2-yl)-4-(trifluoromethyl)pyridine-2,6-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-N-(1-cyclopropylbutan-2-yl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102718593
6-N-propan-2-yl-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717244
2-N-methyl-4-N-(1-methylsulfanylbutan-2-yl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114565904
2-(methoxymethyl)-4-N-(1-methylsulfanylbutan-2-yl)pyrimidine-4,6-diamine
CID 113495337
6-chloro-4-N-(1-methylsulfanylbutan-2-yl)pyrimidine-2,4-diamine
CID 115899327
4-[[6-amino-4-(trifluoromethyl)-2-pyridinyl]amino]pentan-1-ol
CID 102718936
6-N-(1-methoxy-3-methylbutan-2-yl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102718721
6-N-[1-(dimethylamino)-3-methylbutan-2-yl]-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717913
6-N-[(1-methylsulfanylcyclopropyl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine
CID 114117760
3-[[[6-amino-4-(trifluoromethyl)-2-pyridinyl]amino]methyl]pentan-3-ol
CID 102718731
6-N-[1-(5-methylfuran-2-yl)ethyl]-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717909
2-[[6-amino-4-(trifluoromethyl)-2-pyridinyl]amino]-N-propan-2-ylpropanamide
CID 102719169

Frequently Asked Questions

What is the IUPAC name of 6-N-(1-methylsulfanylbutan-2-yl)-4-(trifluoromethyl)pyridine-2,6-diamine?
The IUPAC name of 6-N-(1-methylsulfanylbutan-2-yl)-4-(trifluoromethyl)pyridine-2,6-diamine (CID 102719346) is 6-N-(1-methylsulfanylbutan-2-yl)-4-(trifluoromethyl)pyridine-2,6-diamine.
What is the SMILES notation for 6-N-(1-methylsulfanylbutan-2-yl)-4-(trifluoromethyl)pyridine-2,6-diamine?
The canonical SMILES for 6-N-(1-methylsulfanylbutan-2-yl)-4-(trifluoromethyl)pyridine-2,6-diamine is CCC(CSC)Nc1cc(C(F)(F)F)cc(N)n1.
What is the InChIKey of 6-N-(1-methylsulfanylbutan-2-yl)-4-(trifluoromethyl)pyridine-2,6-diamine?
The InChIKey is CKJNRURJUFMMAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3S/c1-3-8(6-18-2)16-10-5-7(11(12,13)14)4-9(15)17-10/h4-5,8H,3,6H2,1-2H3,(H3,15,16,17).
What are the key properties of 6-N-(1-methylsulfanylbutan-2-yl)-4-(trifluoromethyl)pyridine-2,6-diamine?
6-N-(1-methylsulfanylbutan-2-yl)-4-(trifluoromethyl)pyridine-2,6-diamine has a molecular weight of 279.33 g/mol, XLogP of 3.24, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(1-methylsulfanylbutan-2-yl)-4-(trifluoromethyl)pyridine-2,6-diamine is sourced from PubChem (CID 102719346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).