5-[6-[3-(4-fluorophenyl)morpholin-4-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine

C24H24F4N6O2 — CID 59507849

About 5-[6-[3-(4-fluorophenyl)morpholin-4-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine

5-[6-[3-(4-fluorophenyl)morpholin-4-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 59507849) has the molecular formula C24H24F4N6O2 and a molecular weight of 504.49 g/mol. Its IUPAC name is 5-[6-[3-(4-fluorophenyl)morpholin-4-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

• Compound Name: 5-[6-[3-(4-fluorophenyl)morpholin-4-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine
• PubChem CID: 59507849
• Molecular Formula: C24H24F4N6O2
• Molecular Weight: 504.49 g/mol
• Exact Mass: 504.19
• IUPAC Name: 5-[6-[3-(4-fluorophenyl)morpholin-4-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine
• SMILES: Nc1cc(C(F)(F)F)c(-c2cc(N3CCOCC3c3ccc(F)cc3)nc(N3CCOCC3)n2)cn1
• InChI: InChI=1S/C24H24F4N6O2/c25-16-3-1-15(2-4-16)20-14-36-10-7-34(20)22-12-19(31-23(32-22)33-5-8-35-9-6-33)17-13-30-21(29)11-18(17)24(26,27)28/h1-4,11-13,20H,5-10,14H2,(H2,29,30)
• InChIKey: ADRVOYUTWSMILJ-UHFFFAOYSA-N
• XLogP: 3.69
• TPSA: 89.63 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	504.49
LogP ≤ 5	3.69
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-[6-[3-(4-fluorophenyl)morpholin-4-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine?

The IUPAC name of 5-[6-[3-(4-fluorophenyl)morpholin-4-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine (CID 59507849) is 5-[6-[3-(4-fluorophenyl)morpholin-4-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine.

What is the SMILES notation for 5-[6-[3-(4-fluorophenyl)morpholin-4-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine?

The canonical SMILES for 5-[6-[3-(4-fluorophenyl)morpholin-4-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine is Nc1cc(C(F)(F)F)c(-c2cc(N3CCOCC3c3ccc(F)cc3)nc(N3CCOCC3)n2)cn1.

What is the InChIKey of 5-[6-[3-(4-fluorophenyl)morpholin-4-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine?

The InChIKey is ADRVOYUTWSMILJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F4N6O2/c25-16-3-1-15(2-4-16)20-14-36-10-7-34(20)22-12-19(31-23(32-22)33-5-8-35-9-6-33)17-13-30-21(29)11-18(17)24(26,27)28/h1-4,11-13,20H,5-10,14H2,(H2,29,30).

What are the key properties of 5-[6-[3-(4-fluorophenyl)morpholin-4-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine?

5-[6-[3-(4-fluorophenyl)morpholin-4-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 504.49 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[6-[3-(4-fluorophenyl)morpholin-4-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 59507849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).