5-[(2S)-4-methylmorpholin-2-yl]-4-(trifluoromethyl)pyridin-2-amine

C11H14F3N3O — CID 154021151

IUPAC5-[(2S)-4-methylmorpholin-2-yl]-4-(trifluoromethyl)pyridin-2-amine
SMILESCN1CCO[C@@H](c2cnc(N)cc2C(F)(F)F)C1
InChIInChI=1S/C11H14F3N3O/c1-17-2-3-18-9(6-17)7-5-16-10(15)4-8(7)11(12,13)14/h4-5,9H,2-3,6H2,1H3,(H2,15,16)/t9-/m1/s1
InChIKeyCNAJNNBUVNBCLY-SECBINFHSA-N
MW261.25 g/mol
LogP1.69
Rot. Bonds1

About 5-[(2S)-4-methylmorpholin-2-yl]-4-(trifluoromethyl)pyridin-2-amine

5-[(2S)-4-methylmorpholin-2-yl]-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 154021151) has the molecular formula C11H14F3N3O and a molecular weight of 261.25 g/mol. Its IUPAC name is 5-[(2S)-4-methylmorpholin-2-yl]-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-[(2S)-4-methylmorpholin-2-yl]-4-(trifluoromethyl)pyridin-2-amine
PubChem CID154021151
Molecular FormulaC11H14F3N3O
Molecular Weight261.25 g/mol
Exact Mass261.11
IUPAC Name5-[(2S)-4-methylmorpholin-2-yl]-4-(trifluoromethyl)pyridin-2-amine
SMILESCN1CCO[C@@H](c2cnc(N)cc2C(F)(F)F)C1
InChIInChI=1S/C11H14F3N3O/c1-17-2-3-18-9(6-17)7-5-16-10(15)4-8(7)11(12,13)14/h4-5,9H,2-3,6H2,1H3,(H2,15,16)/t9-/m1/s1
InChIKeyCNAJNNBUVNBCLY-SECBINFHSA-N
XLogP1.69
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.25
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(2S)-4-methylmorpholin-2-yl]-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 5-[(2S)-4-methylmorpholin-2-yl]-4-(trifluoromethyl)pyridin-2-amine (CID 154021151) is 5-[(2S)-4-methylmorpholin-2-yl]-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 5-[(2S)-4-methylmorpholin-2-yl]-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 5-[(2S)-4-methylmorpholin-2-yl]-4-(trifluoromethyl)pyridin-2-amine is CN1CCO[C@@H](c2cnc(N)cc2C(F)(F)F)C1.
What is the InChIKey of 5-[(2S)-4-methylmorpholin-2-yl]-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is CNAJNNBUVNBCLY-SECBINFHSA-N. The full InChI is InChI=1S/C11H14F3N3O/c1-17-2-3-18-9(6-17)7-5-16-10(15)4-8(7)11(12,13)14/h4-5,9H,2-3,6H2,1H3,(H2,15,16)/t9-/m1/s1.
What are the key properties of 5-[(2S)-4-methylmorpholin-2-yl]-4-(trifluoromethyl)pyridin-2-amine?
5-[(2S)-4-methylmorpholin-2-yl]-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 261.25 g/mol, XLogP of 1.69, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2S)-4-methylmorpholin-2-yl]-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 154021151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).