5-[6-[(2S,6R)-2-ethyl-6-methylmorpholin-4-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine

C21H27F3N6O2 — CID 162557599

IUPAC5-[6-[(2S,6R)-2-ethyl-6-methylmorpholin-4-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine
SMILESCC[C@H]1CN(c2cc(-c3cnc(N)cc3C(F)(F)F)nc(N3CCOCC3)n2)C[C@@H](C)O1
InChIInChI=1S/C21H27F3N6O2/c1-3-14-12-30(11-13(2)32-14)19-9-17(27-20(28-19)29-4-6-31-7-5-29)15-10-26-18(25)8-16(15)21(22,23)24/h8-10,13-14H,3-7,11-12H2,1-2H3,(H2,25,26)/t13-,14+/m1/s1
InChIKeyFACNQAFRGHZKDJ-KGLIPLIRSA-N
MW452.48 g/mol
LogP2.98
Rot. Bonds4

About 5-[6-[(2S,6R)-2-ethyl-6-methylmorpholin-4-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine

5-[6-[(2S,6R)-2-ethyl-6-methylmorpholin-4-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 162557599) has the molecular formula C21H27F3N6O2 and a molecular weight of 452.48 g/mol. Its IUPAC name is 5-[6-[(2S,6R)-2-ethyl-6-methylmorpholin-4-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-[6-[(2S,6R)-2-ethyl-6-methylmorpholin-4-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine
PubChem CID162557599
Molecular FormulaC21H27F3N6O2
Molecular Weight452.48 g/mol
Exact Mass452.21
IUPAC Name5-[6-[(2S,6R)-2-ethyl-6-methylmorpholin-4-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine
SMILESCC[C@H]1CN(c2cc(-c3cnc(N)cc3C(F)(F)F)nc(N3CCOCC3)n2)C[C@@H](C)O1
InChIInChI=1S/C21H27F3N6O2/c1-3-14-12-30(11-13(2)32-14)19-9-17(27-20(28-19)29-4-6-31-7-5-29)15-10-26-18(25)8-16(15)21(22,23)24/h8-10,13-14H,3-7,11-12H2,1-2H3,(H2,25,26)/t13-,14+/m1/s1
InChIKeyFACNQAFRGHZKDJ-KGLIPLIRSA-N
XLogP2.98
TPSA89.63 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.48
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[6-[(2S,6R)-2-ethyl-6-methylmorpholin-4-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 5-[6-[(2S,6R)-2-ethyl-6-methylmorpholin-4-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine (CID 162557599) is 5-[6-[(2S,6R)-2-ethyl-6-methylmorpholin-4-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 5-[6-[(2S,6R)-2-ethyl-6-methylmorpholin-4-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 5-[6-[(2S,6R)-2-ethyl-6-methylmorpholin-4-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine is CC[C@H]1CN(c2cc(-c3cnc(N)cc3C(F)(F)F)nc(N3CCOCC3)n2)C[C@@H](C)O1.
What is the InChIKey of 5-[6-[(2S,6R)-2-ethyl-6-methylmorpholin-4-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is FACNQAFRGHZKDJ-KGLIPLIRSA-N. The full InChI is InChI=1S/C21H27F3N6O2/c1-3-14-12-30(11-13(2)32-14)19-9-17(27-20(28-19)29-4-6-31-7-5-29)15-10-26-18(25)8-16(15)21(22,23)24/h8-10,13-14H,3-7,11-12H2,1-2H3,(H2,25,26)/t13-,14+/m1/s1.
What are the key properties of 5-[6-[(2S,6R)-2-ethyl-6-methylmorpholin-4-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine?
5-[6-[(2S,6R)-2-ethyl-6-methylmorpholin-4-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 452.48 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-[(2S,6R)-2-ethyl-6-methylmorpholin-4-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 162557599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).