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

C19H24F3N7O2 — CID 76807779

IUPAC5-[4-(2,5-dimethylmorpholin-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine
SMILESCC1CN(c2nc(-c3cnc(N)cc3C(F)(F)F)nc(N3CCOCC3)n2)C(C)CO1
InChIInChI=1S/C19H24F3N7O2/c1-11-10-31-12(2)9-29(11)18-26-16(25-17(27-18)28-3-5-30-6-4-28)13-8-24-15(23)7-14(13)19(20,21)22/h7-8,11-12H,3-6,9-10H2,1-2H3,(H2,23,24)
InChIKeyUHGHVFYWTMAMQI-UHFFFAOYSA-N
MW439.44 g/mol
LogP1.98
Rot. Bonds3

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

5-[4-(2,5-dimethylmorpholin-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 76807779) has the molecular formula C19H24F3N7O2 and a molecular weight of 439.44 g/mol. Its IUPAC name is 5-[4-(2,5-dimethylmorpholin-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-[4-(2,5-dimethylmorpholin-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine
PubChem CID76807779
Molecular FormulaC19H24F3N7O2
Molecular Weight439.44 g/mol
Exact Mass439.19
IUPAC Name5-[4-(2,5-dimethylmorpholin-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine
SMILESCC1CN(c2nc(-c3cnc(N)cc3C(F)(F)F)nc(N3CCOCC3)n2)C(C)CO1
InChIInChI=1S/C19H24F3N7O2/c1-11-10-31-12(2)9-29(11)18-26-16(25-17(27-18)28-3-5-30-6-4-28)13-8-24-15(23)7-14(13)19(20,21)22/h7-8,11-12H,3-6,9-10H2,1-2H3,(H2,23,24)
InChIKeyUHGHVFYWTMAMQI-UHFFFAOYSA-N
XLogP1.98
TPSA102.52 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.44
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(2,5-dimethylmorpholin-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 5-[4-(2,5-dimethylmorpholin-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine (CID 76807779) is 5-[4-(2,5-dimethylmorpholin-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 5-[4-(2,5-dimethylmorpholin-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 5-[4-(2,5-dimethylmorpholin-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine is CC1CN(c2nc(-c3cnc(N)cc3C(F)(F)F)nc(N3CCOCC3)n2)C(C)CO1.
What is the InChIKey of 5-[4-(2,5-dimethylmorpholin-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is UHGHVFYWTMAMQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F3N7O2/c1-11-10-31-12(2)9-29(11)18-26-16(25-17(27-18)28-3-5-30-6-4-28)13-8-24-15(23)7-14(13)19(20,21)22/h7-8,11-12H,3-6,9-10H2,1-2H3,(H2,23,24).
What are the key properties of 5-[4-(2,5-dimethylmorpholin-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine?
5-[4-(2,5-dimethylmorpholin-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 439.44 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2,5-dimethylmorpholin-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 76807779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).