6-N-(2-methoxyethyl)-6-N-(2-methylpropyl)-4-(trifluoromethyl)pyridine-2,6-diamine

C13H20F3N3O — CID 102717990

IUPAC6-N-(2-methoxyethyl)-6-N-(2-methylpropyl)-4-(trifluoromethyl)pyridine-2,6-diamine
SMILESCOCCN(CC(C)C)c1cc(C(F)(F)F)cc(N)n1
InChIInChI=1S/C13H20F3N3O/c1-9(2)8-19(4-5-20-3)12-7-10(13(14,15)16)6-11(17)18-12/h6-7,9H,4-5,8H2,1-3H3,(H2,17,18)
InChIKeyZDIFTXXCCAXRHL-UHFFFAOYSA-N
MW291.32 g/mol
LogP2.79
Rot. Bonds6

About 6-N-(2-methoxyethyl)-6-N-(2-methylpropyl)-4-(trifluoromethyl)pyridine-2,6-diamine

6-N-(2-methoxyethyl)-6-N-(2-methylpropyl)-4-(trifluoromethyl)pyridine-2,6-diamine (PubChem CID 102717990) has the molecular formula C13H20F3N3O and a molecular weight of 291.32 g/mol. Its IUPAC name is 6-N-(2-methoxyethyl)-6-N-(2-methylpropyl)-4-(trifluoromethyl)pyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-(2-methoxyethyl)-6-N-(2-methylpropyl)-4-(trifluoromethyl)pyridine-2,6-diamine
PubChem CID102717990
Molecular FormulaC13H20F3N3O
Molecular Weight291.32 g/mol
Exact Mass291.16
IUPAC Name6-N-(2-methoxyethyl)-6-N-(2-methylpropyl)-4-(trifluoromethyl)pyridine-2,6-diamine
SMILESCOCCN(CC(C)C)c1cc(C(F)(F)F)cc(N)n1
InChIInChI=1S/C13H20F3N3O/c1-9(2)8-19(4-5-20-3)12-7-10(13(14,15)16)6-11(17)18-12/h6-7,9H,4-5,8H2,1-3H3,(H2,17,18)
InChIKeyZDIFTXXCCAXRHL-UHFFFAOYSA-N
XLogP2.79
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.32
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-N-ethyl-6-N-(2-methoxyethyl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717821
2-[[6-amino-4-(trifluoromethyl)-2-pyridinyl]-(2-methoxyethyl)amino]ethanol
CID 102719240
4-N,4-N-bis(2-methylpropyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106771018
4-[3-fluoro-5-(trifluoromethyl)phenyl]-5-N-(2-methoxyethyl)-5-N-(2-methylpropyl)-1,3-thiazole-2,5-diamine
CID 131999375
4-N-ethyl-4-N-(2-methylpropyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106770656
4-N,4-N-bis(2-methoxyethyl)-2-methylpyrimidine-4,6-diamine
CID 80794923
6-N-ethyl-6-N-(2,2,2-trifluoroethyl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102718090
2-ethyl-4-N-(2-methoxyethyl)-6-N-methyl-4-N-(2-methylpropyl)pyrimidine-4,6-diamine
CID 80935014
6-N-ethyl-4-N-(2-methoxyethyl)-4-N-(2-methylpropyl)-2-methylsulfanylpyrimidine-4,6-diamine
CID 80804755
2-[2-methoxyethyl(2-methylpropyl)amino]-6-methylpyridine-4-carboximidamide
CID 114768958
2-N-(2-methoxyethyl)-2-N-(2-methylpropyl)-1,3-thiazole-2,5-diamine
CID 102767997
4-N-(2-methoxyethyl)-2-methyl-4-N-(2-methylpropyl)benzene-1,4-diamine
CID 54987138

Frequently Asked Questions

What is the IUPAC name of 6-N-(2-methoxyethyl)-6-N-(2-methylpropyl)-4-(trifluoromethyl)pyridine-2,6-diamine?
The IUPAC name of 6-N-(2-methoxyethyl)-6-N-(2-methylpropyl)-4-(trifluoromethyl)pyridine-2,6-diamine (CID 102717990) is 6-N-(2-methoxyethyl)-6-N-(2-methylpropyl)-4-(trifluoromethyl)pyridine-2,6-diamine.
What is the SMILES notation for 6-N-(2-methoxyethyl)-6-N-(2-methylpropyl)-4-(trifluoromethyl)pyridine-2,6-diamine?
The canonical SMILES for 6-N-(2-methoxyethyl)-6-N-(2-methylpropyl)-4-(trifluoromethyl)pyridine-2,6-diamine is COCCN(CC(C)C)c1cc(C(F)(F)F)cc(N)n1.
What is the InChIKey of 6-N-(2-methoxyethyl)-6-N-(2-methylpropyl)-4-(trifluoromethyl)pyridine-2,6-diamine?
The InChIKey is ZDIFTXXCCAXRHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3N3O/c1-9(2)8-19(4-5-20-3)12-7-10(13(14,15)16)6-11(17)18-12/h6-7,9H,4-5,8H2,1-3H3,(H2,17,18).
What are the key properties of 6-N-(2-methoxyethyl)-6-N-(2-methylpropyl)-4-(trifluoromethyl)pyridine-2,6-diamine?
6-N-(2-methoxyethyl)-6-N-(2-methylpropyl)-4-(trifluoromethyl)pyridine-2,6-diamine has a molecular weight of 291.32 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(2-methoxyethyl)-6-N-(2-methylpropyl)-4-(trifluoromethyl)pyridine-2,6-diamine is sourced from PubChem (CID 102717990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).