4-morpholin-4-yl-N-[4-(trifluoromethyl)phenyl]-6-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1,3,5-triazin-2-amine

C24H24F6N8O — CID 11548527

About 4-morpholin-4-yl-N-[4-(trifluoromethyl)phenyl]-6-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1,3,5-triazin-2-amine

4-morpholin-4-yl-N-[4-(trifluoromethyl)phenyl]-6-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1,3,5-triazin-2-amine (PubChem CID 11548527) has the molecular formula C24H24F6N8O and a molecular weight of 554.50 g/mol. Its IUPAC name is 4-morpholin-4-yl-N-[4-(trifluoromethyl)phenyl]-6-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1,3,5-triazin-2-amine.

Molecular Properties

• Compound Name: 4-morpholin-4-yl-N-[4-(trifluoromethyl)phenyl]-6-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1,3,5-triazin-2-amine
• PubChem CID: 11548527
• Molecular Formula: C24H24F6N8O
• Molecular Weight: 554.50 g/mol
• Exact Mass: 554.20
• IUPAC Name: 4-morpholin-4-yl-N-[4-(trifluoromethyl)phenyl]-6-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1,3,5-triazin-2-amine
• SMILES: FC(F)(F)c1ccc(Nc2nc(N3CCOCC3)nc(N3CCN(c4ncccc4C(F)(F)F)CC3)n2)cc1
• InChI: InChI=1S/C24H24F6N8O/c25-23(26,27)16-3-5-17(6-4-16)32-20-33-21(35-22(34-20)38-12-14-39-15-13-38)37-10-8-36(9-11-37)19-18(24(28,29)30)2-1-7-31-19/h1-7H,8-15H2,(H,32,33,34,35)
• InChIKey: UAAJGWQXIKMBES-UHFFFAOYSA-N
• XLogP: 4.21
• TPSA: 82.54 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	554.50
LogP ≤ 5	4.21
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-yl-N-[4-(trifluoromethyl)phenyl]-6-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1,3,5-triazin-2-amine?

The IUPAC name of 4-morpholin-4-yl-N-[4-(trifluoromethyl)phenyl]-6-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1,3,5-triazin-2-amine (CID 11548527) is 4-morpholin-4-yl-N-[4-(trifluoromethyl)phenyl]-6-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1,3,5-triazin-2-amine.

What is the SMILES notation for 4-morpholin-4-yl-N-[4-(trifluoromethyl)phenyl]-6-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1,3,5-triazin-2-amine?

The canonical SMILES for 4-morpholin-4-yl-N-[4-(trifluoromethyl)phenyl]-6-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1,3,5-triazin-2-amine is FC(F)(F)c1ccc(Nc2nc(N3CCOCC3)nc(N3CCN(c4ncccc4C(F)(F)F)CC3)n2)cc1.

What is the InChIKey of 4-morpholin-4-yl-N-[4-(trifluoromethyl)phenyl]-6-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1,3,5-triazin-2-amine?

The InChIKey is UAAJGWQXIKMBES-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F6N8O/c25-23(26,27)16-3-5-17(6-4-16)32-20-33-21(35-22(34-20)38-12-14-39-15-13-38)37-10-8-36(9-11-37)19-18(24(28,29)30)2-1-7-31-19/h1-7H,8-15H2,(H,32,33,34,35).

What are the key properties of 4-morpholin-4-yl-N-[4-(trifluoromethyl)phenyl]-6-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1,3,5-triazin-2-amine?

4-morpholin-4-yl-N-[4-(trifluoromethyl)phenyl]-6-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1,3,5-triazin-2-amine has a molecular weight of 554.50 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-morpholin-4-yl-N-[4-(trifluoromethyl)phenyl]-6-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 11548527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).