2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-(trifluoromethyl)pyridin-4-amine

C12H16F3N3O — CID 165129878

IUPAC2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-(trifluoromethyl)pyridin-4-amine
SMILESC[C@@H]1CN(c2cc(N)c(C(F)(F)F)cn2)C[C@H](C)O1
InChIInChI=1S/C12H16F3N3O/c1-7-5-18(6-8(2)19-7)11-3-10(16)9(4-17-11)12(13,14)15/h3-4,7-8H,5-6H2,1-2H3,(H2,16,17)/t7-,8+
InChIKeyMXKIRXJETPNANK-OCAPTIKFSA-N
MW275.27 g/mol
LogP2.30
Rot. Bonds1

About 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-(trifluoromethyl)pyridin-4-amine

2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-(trifluoromethyl)pyridin-4-amine (PubChem CID 165129878) has the molecular formula C12H16F3N3O and a molecular weight of 275.27 g/mol. Its IUPAC name is 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-(trifluoromethyl)pyridin-4-amine.

Molecular Properties

Compound Name2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-(trifluoromethyl)pyridin-4-amine
PubChem CID165129878
Molecular FormulaC12H16F3N3O
Molecular Weight275.27 g/mol
Exact Mass275.12
IUPAC Name2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-(trifluoromethyl)pyridin-4-amine
SMILESC[C@@H]1CN(c2cc(N)c(C(F)(F)F)cn2)C[C@H](C)O1
InChIInChI=1S/C12H16F3N3O/c1-7-5-18(6-8(2)19-7)11-3-10(16)9(4-17-11)12(13,14)15/h3-4,7-8H,5-6H2,1-2H3,(H2,16,17)/t7-,8+
InChIKeyMXKIRXJETPNANK-OCAPTIKFSA-N
XLogP2.30
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Sra-737
CID 72165232
5-(4,6-Dimorpholin-4-ylpyrimidin-2-yl)-4-(trifluoromethyl)pyridin-2-amine
CID 25009673
5-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine
CID 59507962
2-Amino-4-(trifluoromethyl)-5-[2-(2alpha,6alpha-dimethylmorpholine-4-yl)-4-morpholinopyrimidine-6-yl]pyridine
CID 78324546
5-[4,6-bis[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,3,5-triazin-2-yl]-4-(difluoromethyl)pyridin-2-amine
CID 121334382
4-(difluoromethyl)-5-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-6-[(3R)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]pyridin-2-amine
CID 121334463
[2-(Morpholin-4-yl)pyridin-4-yl]methanamine
CID 7537568
5-[2-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-6-methylpyrimidin-5-yl]ethynyl]pyridin-2-amine
CID 58073678
Unii-lcr5pkk3H6
CID 72202596
[2-(2-Ethyl-morpholin-4-yl)-6-(1-methyl-pyrrolidin-3-yl)-pyrimidin-4-yl]-(4-trifluoromethyl-pyridin-2-yl)-amine
CID 117685530
4-(4-Isocyanatopyridin-2-yl)morpholine
CID 18525762
2-(Morpholin-4-yl)pyridin-4-amine
CID 23818810

Frequently Asked Questions

What is the IUPAC name of 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-(trifluoromethyl)pyridin-4-amine?
The IUPAC name of 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-(trifluoromethyl)pyridin-4-amine (CID 165129878) is 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-(trifluoromethyl)pyridin-4-amine.
What is the SMILES notation for 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-(trifluoromethyl)pyridin-4-amine?
The canonical SMILES for 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-(trifluoromethyl)pyridin-4-amine is C[C@@H]1CN(c2cc(N)c(C(F)(F)F)cn2)C[C@H](C)O1.
What is the InChIKey of 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-(trifluoromethyl)pyridin-4-amine?
The InChIKey is MXKIRXJETPNANK-OCAPTIKFSA-N. The full InChI is InChI=1S/C12H16F3N3O/c1-7-5-18(6-8(2)19-7)11-3-10(16)9(4-17-11)12(13,14)15/h3-4,7-8H,5-6H2,1-2H3,(H2,16,17)/t7-,8+.
What are the key properties of 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-(trifluoromethyl)pyridin-4-amine?
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-(trifluoromethyl)pyridin-4-amine has a molecular weight of 275.27 g/mol, XLogP of 2.30, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-(trifluoromethyl)pyridin-4-amine is sourced from PubChem (CID 165129878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).