2-methyl-6-[(2S)-4-[5-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]pyridin-4-amine

C16H17F3N4O — CID 125000848

IUPAC2-methyl-6-[(2S)-4-[5-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]pyridin-4-amine
SMILESCc1cc(N)cc([C@@H]2CN(c3ccc(C(F)(F)F)cn3)CCO2)n1
InChIInChI=1S/C16H17F3N4O/c1-10-6-12(20)7-13(22-10)14-9-23(4-5-24-14)15-3-2-11(8-21-15)16(17,18)19/h2-3,6-8,14H,4-5,9H2,1H3,(H2,20,22)/t14-/m0/s1
InChIKeyRYUGOKIHRXMJCZ-AWEZNQCLSA-N
MW338.33 g/mol
LogP2.96
Rot. Bonds2

About 2-methyl-6-[(2S)-4-[5-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]pyridin-4-amine

2-methyl-6-[(2S)-4-[5-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]pyridin-4-amine (PubChem CID 125000848) has the molecular formula C16H17F3N4O and a molecular weight of 338.33 g/mol. Its IUPAC name is 2-methyl-6-[(2S)-4-[5-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]pyridin-4-amine.

Molecular Properties

Compound Name2-methyl-6-[(2S)-4-[5-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]pyridin-4-amine
PubChem CID125000848
Molecular FormulaC16H17F3N4O
Molecular Weight338.33 g/mol
Exact Mass338.14
IUPAC Name2-methyl-6-[(2S)-4-[5-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]pyridin-4-amine
SMILESCc1cc(N)cc([C@@H]2CN(c3ccc(C(F)(F)F)cn3)CCO2)n1
InChIInChI=1S/C16H17F3N4O/c1-10-6-12(20)7-13(22-10)14-9-23(4-5-24-14)15-3-2-11(8-21-15)16(17,18)19/h2-3,6-8,14H,4-5,9H2,1H3,(H2,20,22)/t14-/m0/s1
InChIKeyRYUGOKIHRXMJCZ-AWEZNQCLSA-N
XLogP2.96
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.33
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-6-[4-[5-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]pyridin-4-amine
CID 110113388
4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)-2-[4-(trifluoromethyl)phenyl]morpholine
CID 133449908
6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyridin-3-amine
CID 2741603
2-[(3R)-3-methylpyrrolidin-1-yl]-5-(trifluoromethyl)pyridine
CID 59059706
4-(5-methylpyrimidin-2-yl)-2-[4-(trifluoromethyl)phenyl]morpholine
CID 133449879
4-methyl-6-[(2R)-2-[5-(methylamino)-2-pyridinyl]morpholin-4-yl]pyrimidin-2-amine
CID 95847850
tert-butyl-[[4-[5-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]methyl]carbamic acid
CID 118341242
2-methyl-6-[4-[(5-methyl-1H-pyrazol-4-yl)methyl]morpholin-2-yl]pyridin-4-amine
CID 110113374
2-[(2R)-4-[(1,5-dimethylpyrazol-4-yl)methyl]morpholin-2-yl]-6-methylpyridin-4-amine
CID 124982771
2-methyl-6-[4-(pyrazin-2-ylmethyl)morpholin-2-yl]pyridin-4-amine
CID 110113363
2-methyl-6-[(2R)-4-(pyridin-2-ylmethyl)morpholin-2-yl]pyridin-4-amine
CID 124991314
1-[5-(trifluoromethyl)-2-pyridinyl]azetidin-3-amine;dihydrochloride
CID 91623900

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[(2S)-4-[5-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]pyridin-4-amine?
The IUPAC name of 2-methyl-6-[(2S)-4-[5-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]pyridin-4-amine (CID 125000848) is 2-methyl-6-[(2S)-4-[5-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]pyridin-4-amine.
What is the SMILES notation for 2-methyl-6-[(2S)-4-[5-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]pyridin-4-amine?
The canonical SMILES for 2-methyl-6-[(2S)-4-[5-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]pyridin-4-amine is Cc1cc(N)cc([C@@H]2CN(c3ccc(C(F)(F)F)cn3)CCO2)n1.
What is the InChIKey of 2-methyl-6-[(2S)-4-[5-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]pyridin-4-amine?
The InChIKey is RYUGOKIHRXMJCZ-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H17F3N4O/c1-10-6-12(20)7-13(22-10)14-9-23(4-5-24-14)15-3-2-11(8-21-15)16(17,18)19/h2-3,6-8,14H,4-5,9H2,1H3,(H2,20,22)/t14-/m0/s1.
What are the key properties of 2-methyl-6-[(2S)-4-[5-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]pyridin-4-amine?
2-methyl-6-[(2S)-4-[5-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]pyridin-4-amine has a molecular weight of 338.33 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[(2S)-4-[5-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]pyridin-4-amine is sourced from PubChem (CID 125000848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).