6-(2,6-dimethylmorpholin-4-yl)-N-methyl-4-(trifluoromethyl)pyridin-2-amine

C13H18F3N3O — CID 102717181

IUPAC6-(2,6-dimethylmorpholin-4-yl)-N-methyl-4-(trifluoromethyl)pyridin-2-amine
SMILESCNc1cc(C(F)(F)F)cc(N2CC(C)OC(C)C2)n1
InChIInChI=1S/C13H18F3N3O/c1-8-6-19(7-9(2)20-8)12-5-10(13(14,15)16)4-11(17-3)18-12/h4-5,8-9H,6-7H2,1-3H3,(H,17,18)
InChIKeyJCMLRLSQKRZQGC-UHFFFAOYSA-N
MW289.30 g/mol
LogP2.76
Rot. Bonds2

About 6-(2,6-dimethylmorpholin-4-yl)-N-methyl-4-(trifluoromethyl)pyridin-2-amine

6-(2,6-dimethylmorpholin-4-yl)-N-methyl-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 102717181) has the molecular formula C13H18F3N3O and a molecular weight of 289.30 g/mol. Its IUPAC name is 6-(2,6-dimethylmorpholin-4-yl)-N-methyl-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name6-(2,6-dimethylmorpholin-4-yl)-N-methyl-4-(trifluoromethyl)pyridin-2-amine
PubChem CID102717181
Molecular FormulaC13H18F3N3O
Molecular Weight289.30 g/mol
Exact Mass289.14
IUPAC Name6-(2,6-dimethylmorpholin-4-yl)-N-methyl-4-(trifluoromethyl)pyridin-2-amine
SMILESCNc1cc(C(F)(F)F)cc(N2CC(C)OC(C)C2)n1
InChIInChI=1S/C13H18F3N3O/c1-8-6-19(7-9(2)20-8)12-5-10(13(14,15)16)4-11(17-3)18-12/h4-5,8-9H,6-7H2,1-3H3,(H,17,18)
InChIKeyJCMLRLSQKRZQGC-UHFFFAOYSA-N
XLogP2.76
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(2,6-dimethylmorpholin-4-yl)-N-methyl-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 6-(2,6-dimethylmorpholin-4-yl)-N-methyl-4-(trifluoromethyl)pyridin-2-amine (CID 102717181) is 6-(2,6-dimethylmorpholin-4-yl)-N-methyl-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 6-(2,6-dimethylmorpholin-4-yl)-N-methyl-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 6-(2,6-dimethylmorpholin-4-yl)-N-methyl-4-(trifluoromethyl)pyridin-2-amine is CNc1cc(C(F)(F)F)cc(N2CC(C)OC(C)C2)n1.
What is the InChIKey of 6-(2,6-dimethylmorpholin-4-yl)-N-methyl-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is JCMLRLSQKRZQGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N3O/c1-8-6-19(7-9(2)20-8)12-5-10(13(14,15)16)4-11(17-3)18-12/h4-5,8-9H,6-7H2,1-3H3,(H,17,18).
What are the key properties of 6-(2,6-dimethylmorpholin-4-yl)-N-methyl-4-(trifluoromethyl)pyridin-2-amine?
6-(2,6-dimethylmorpholin-4-yl)-N-methyl-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 289.30 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,6-dimethylmorpholin-4-yl)-N-methyl-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 102717181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).