5-[4,6-bis[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,3,5-triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine

C21H28F3N7O2 — CID 155540841

IUPAC5-[4,6-bis[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,3,5-triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine
SMILESC[C@@H]1CN(c2nc(-c3cnc(N)cc3C(F)(F)F)nc(N3C[C@@H](C)O[C@@H](C)C3)n2)C[C@H](C)O1
InChIInChI=1S/C21H28F3N7O2/c1-11-7-30(8-12(2)32-11)19-27-18(15-6-26-17(25)5-16(15)21(22,23)24)28-20(29-19)31-9-13(3)33-14(4)10-31/h5-6,11-14H,7-10H2,1-4H3,(H2,25,26)/t11-,12+,13-,14+
InChIKeyNKGPFOGDCKHMHW-KPWCQOOUSA-N
MW467.50 g/mol
LogP2.76
Rot. Bonds3

About 5-[4,6-bis[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,3,5-triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine

5-[4,6-bis[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,3,5-triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 155540841) has the molecular formula C21H28F3N7O2 and a molecular weight of 467.50 g/mol. Its IUPAC name is 5-[4,6-bis[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,3,5-triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-[4,6-bis[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,3,5-triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine
PubChem CID155540841
Molecular FormulaC21H28F3N7O2
Molecular Weight467.50 g/mol
Exact Mass467.23
IUPAC Name5-[4,6-bis[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,3,5-triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine
SMILESC[C@@H]1CN(c2nc(-c3cnc(N)cc3C(F)(F)F)nc(N3C[C@@H](C)O[C@@H](C)C3)n2)C[C@H](C)O1
InChIInChI=1S/C21H28F3N7O2/c1-11-7-30(8-12(2)32-11)19-27-18(15-6-26-17(25)5-16(15)21(22,23)24)28-20(29-19)31-9-13(3)33-14(4)10-31/h5-6,11-14H,7-10H2,1-4H3,(H2,25,26)/t11-,12+,13-,14+
InChIKeyNKGPFOGDCKHMHW-KPWCQOOUSA-N
XLogP2.76
TPSA102.52 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.50
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-[4,6-bis[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,3,5-triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 5-[4,6-bis[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,3,5-triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine (CID 155540841) is 5-[4,6-bis[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,3,5-triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 5-[4,6-bis[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,3,5-triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 5-[4,6-bis[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,3,5-triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine is C[C@@H]1CN(c2nc(-c3cnc(N)cc3C(F)(F)F)nc(N3C[C@@H](C)O[C@@H](C)C3)n2)C[C@H](C)O1.
What is the InChIKey of 5-[4,6-bis[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,3,5-triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is NKGPFOGDCKHMHW-KPWCQOOUSA-N. The full InChI is InChI=1S/C21H28F3N7O2/c1-11-7-30(8-12(2)32-11)19-27-18(15-6-26-17(25)5-16(15)21(22,23)24)28-20(29-19)31-9-13(3)33-14(4)10-31/h5-6,11-14H,7-10H2,1-4H3,(H2,25,26)/t11-,12+,13-,14+.
What are the key properties of 5-[4,6-bis[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,3,5-triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine?
5-[4,6-bis[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,3,5-triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 467.50 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4,6-bis[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,3,5-triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 155540841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).