2-[2-[[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]amino]-1,3-thiazol-4-yl]-N,N-diethylacetamide;6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-yl-N-[4-(trifluoromethyl)pyrimidin-2-yl]pyrimidin-4-amine;5-[6-(2,3-dihydro-1,4-benzoxazin-4-yl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[2-morpholin-4-yl-6-[2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;5-(2-morpholin-4-yl-6-quinolin-6-yloxypyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine

C109H112F18N36O9S — CID 159553843

About 2-[2-[[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]amino]-1,3-thiazol-4-yl]-N,N-diethylacetamide;6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-yl-N-[4-(trifluoromethyl)pyrimidin-2-yl]pyrimidin-4-amine;5-[6-(2,3-dihydro-1,4-benzoxazin-4-yl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[2-morpholin-4-yl-6-[2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;5-(2-morpholin-4-yl-6-quinolin-6-yloxypyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine

2-[2-[[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]amino]-1,3-thiazol-4-yl]-N,N-diethylacetamide;6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-yl-N-[4-(trifluoromethyl)pyrimidin-2-yl]pyrimidin-4-amine;5-[6-(2,3-dihydro-1,4-benzoxazin-4-yl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[2-morpholin-4-yl-6-[2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;5-(2-morpholin-4-yl-6-quinolin-6-yloxypyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 159553843) has the molecular formula C109H112F18N36O9S and a molecular weight of 2444.37 g/mol. Its IUPAC name is 2-[2-[[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]amino]-1,3-thiazol-4-yl]-N,N-diethylacetamide;6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-yl-N-[4-(trifluoromethyl)pyrimidin-2-yl]pyrimidin-4-amine;5-[6-(2,3-dihydro-1,4-benzoxazin-4-yl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[2-morpholin-4-yl-6-[2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;5-(2-morpholin-4-yl-6-quinolin-6-yloxypyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

• Compound Name: 2-[2-[[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]amino]-1,3-thiazol-4-yl]-N,N-diethylacetamide;6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-yl-N-[4-(trifluoromethyl)pyrimidin-2-yl]pyrimidin-4-amine;5-[6-(2,3-dihydro-1,4-benzoxazin-4-yl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[2-morpholin-4-yl-6-[2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;5-(2-morpholin-4-yl-6-quinolin-6-yloxypyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine
• PubChem CID: 159553843
• Molecular Formula: C109H112F18N36O9S
• Molecular Weight: 2444.37 g/mol
• Exact Mass: 2442.88
• IUPAC Name: 2-[2-[[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]amino]-1,3-thiazol-4-yl]-N,N-diethylacetamide;6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-yl-N-[4-(trifluoromethyl)pyrimidin-2-yl]pyrimidin-4-amine;5-[6-(2,3-dihydro-1,4-benzoxazin-4-yl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[2-morpholin-4-yl-6-[2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;5-(2-morpholin-4-yl-6-quinolin-6-yloxypyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine
• SMILES: CCN(CC)C(=O)Cc1csc(Nc2cc(-c3cnc(N)cc3C(F)(F)F)nc(N3CCOCC3)n2)n1.Nc1cc(C(F)(F)F)c(-c2cc(N3CCOC(CN4CCCC4)C3)nc(N3CCOCC3)n2)cn1.Nc1cc(C(F)(F)F)c(-c2cc(N3CCOc4ccccc43)nc(N3CCOCC3)n2)cn1.Nc1cc(C(F)(F)F)c(-c2cc(Oc3ccc4ncccc4c3)nc(N3CCOCC3)n2)cn1.Nc1ncc(-c2cc(Nc3nccc(C(F)(F)F)n3)nc(N3CCOCC3)n2)c(C(F)(F)F)n1
• InChI: InChI=1S/C23H27F3N8O2S.C23H30F3N7O2.C23H19F3N6O2.C22H21F3N6O2.C18H15F6N9O/c1-3-33(4-2)20(35)9-14-13-37-22(29-14)32-19-11-17(30-21(31-19)34-5-7-36-8-6-34)15-12-28-18(27)10-16(15)23(24,25)26;24-23(25,26)18-11-20(27)28-13-17(18)19-12-21(30-22(29-19)32-5-8-34-9-6-32)33-7-10-35-16(15-33)14-31-3-1-2-4-31;24-23(25,26)17-11-20(27)29-13-16(17)19-12-21(31-22(30-19)32-6-8-33-9-7-32)34-15-3-4-18-14(10-15)2-1-5-28-18;23-22(24,25)15-11-19(26)27-13-14(15)16-12-20(29-21(28-16)30-5-8-32-9-6-30)31-7-10-33-18-4-2-1-3-17(18)31;19-17(20,21)11-1-2-26-15(29-11)30-12-7-10(28-16(31-12)33-3-5-34-6-4-33)9-8-27-14(25)32-13(9)18(22,23)24/h10-13H,3-9H2,1-2H3,(H2,27,28)(H,29,30,31,32);11-13,16H,1-10,14-15H2,(H2,27,28);1-5,10-13H,6-9H2,(H2,27,29);1-4,11-13H,5-10H2,(H2,26,27);1-2,7-8H,3-6H2,(H2,25,27,32)(H,26,28,29,30,31)
• InChIKey: MFSVUYGJCCLVAD-UHFFFAOYSA-N
• XLogP: 16.61
• TPSA: 532.03 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 45
• Rotatable Bonds: 24
• Heavy Atoms: 173
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2444.37
LogP ≤ 5	16.61
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	45

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]amino]-1,3-thiazol-4-yl]-N,N-diethylacetamide;6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-yl-N-[4-(trifluoromethyl)pyrimidin-2-yl]pyrimidin-4-amine;5-[6-(2,3-dihydro-1,4-benzoxazin-4-yl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[2-morpholin-4-yl-6-[2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;5-(2-morpholin-4-yl-6-quinolin-6-yloxypyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine?

The IUPAC name of 2-[2-[[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]amino]-1,3-thiazol-4-yl]-N,N-diethylacetamide;6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-yl-N-[4-(trifluoromethyl)pyrimidin-2-yl]pyrimidin-4-amine;5-[6-(2,3-dihydro-1,4-benzoxazin-4-yl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[2-morpholin-4-yl-6-[2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;5-(2-morpholin-4-yl-6-quinolin-6-yloxypyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine (CID 159553843) is 2-[2-[[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]amino]-1,3-thiazol-4-yl]-N,N-diethylacetamide;6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-yl-N-[4-(trifluoromethyl)pyrimidin-2-yl]pyrimidin-4-amine;5-[6-(2,3-dihydro-1,4-benzoxazin-4-yl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[2-morpholin-4-yl-6-[2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;5-(2-morpholin-4-yl-6-quinolin-6-yloxypyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine.

What is the SMILES notation for 2-[2-[[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]amino]-1,3-thiazol-4-yl]-N,N-diethylacetamide;6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-yl-N-[4-(trifluoromethyl)pyrimidin-2-yl]pyrimidin-4-amine;5-[6-(2,3-dihydro-1,4-benzoxazin-4-yl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[2-morpholin-4-yl-6-[2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;5-(2-morpholin-4-yl-6-quinolin-6-yloxypyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine?

The canonical SMILES for 2-[2-[[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]amino]-1,3-thiazol-4-yl]-N,N-diethylacetamide;6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-yl-N-[4-(trifluoromethyl)pyrimidin-2-yl]pyrimidin-4-amine;5-[6-(2,3-dihydro-1,4-benzoxazin-4-yl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[2-morpholin-4-yl-6-[2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;5-(2-morpholin-4-yl-6-quinolin-6-yloxypyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine is CCN(CC)C(=O)Cc1csc(Nc2cc(-c3cnc(N)cc3C(F)(F)F)nc(N3CCOCC3)n2)n1.Nc1cc(C(F)(F)F)c(-c2cc(N3CCOC(CN4CCCC4)C3)nc(N3CCOCC3)n2)cn1.Nc1cc(C(F)(F)F)c(-c2cc(N3CCOc4ccccc43)nc(N3CCOCC3)n2)cn1.Nc1cc(C(F)(F)F)c(-c2cc(Oc3ccc4ncccc4c3)nc(N3CCOCC3)n2)cn1.Nc1ncc(-c2cc(Nc3nccc(C(F)(F)F)n3)nc(N3CCOCC3)n2)c(C(F)(F)F)n1.

What is the InChIKey of 2-[2-[[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]amino]-1,3-thiazol-4-yl]-N,N-diethylacetamide;6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-yl-N-[4-(trifluoromethyl)pyrimidin-2-yl]pyrimidin-4-amine;5-[6-(2,3-dihydro-1,4-benzoxazin-4-yl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[2-morpholin-4-yl-6-[2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;5-(2-morpholin-4-yl-6-quinolin-6-yloxypyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine?

The InChIKey is MFSVUYGJCCLVAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27F3N8O2S.C23H30F3N7O2.C23H19F3N6O2.C22H21F3N6O2.C18H15F6N9O/c1-3-33(4-2)20(35)9-14-13-37-22(29-14)32-19-11-17(30-21(31-19)34-5-7-36-8-6-34)15-12-28-18(27)10-16(15)23(24,25)26;24-23(25,26)18-11-20(27)28-13-17(18)19-12-21(30-22(29-19)32-5-8-34-9-6-32)33-7-10-35-16(15-33)14-31-3-1-2-4-31;24-23(25,26)17-11-20(27)29-13-16(17)19-12-21(31-22(30-19)32-6-8-33-9-7-32)34-15-3-4-18-14(10-15)2-1-5-28-18;23-22(24,25)15-11-19(26)27-13-14(15)16-12-20(29-21(28-16)30-5-8-32-9-6-30)31-7-10-33-18-4-2-1-3-17(18)31;19-17(20,21)11-1-2-26-15(29-11)30-12-7-10(28-16(31-12)33-3-5-34-6-4-33)9-8-27-14(25)32-13(9)18(22,23)24/h10-13H,3-9H2,1-2H3,(H2,27,28)(H,29,30,31,32);11-13,16H,1-10,14-15H2,(H2,27,28);1-5,10-13H,6-9H2,(H2,27,29);1-4,11-13H,5-10H2,(H2,26,27);1-2,7-8H,3-6H2,(H2,25,27,32)(H,26,28,29,30,31).

What are the key properties of 2-[2-[[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]amino]-1,3-thiazol-4-yl]-N,N-diethylacetamide;6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-yl-N-[4-(trifluoromethyl)pyrimidin-2-yl]pyrimidin-4-amine;5-[6-(2,3-dihydro-1,4-benzoxazin-4-yl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[2-morpholin-4-yl-6-[2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;5-(2-morpholin-4-yl-6-quinolin-6-yloxypyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine?

2-[2-[[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]amino]-1,3-thiazol-4-yl]-N,N-diethylacetamide;6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-yl-N-[4-(trifluoromethyl)pyrimidin-2-yl]pyrimidin-4-amine;5-[6-(2,3-dihydro-1,4-benzoxazin-4-yl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[2-morpholin-4-yl-6-[2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;5-(2-morpholin-4-yl-6-quinolin-6-yloxypyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 2444.37 g/mol, XLogP of 16.61, 24 rotatable bonds, 7 hydrogen bond donors, and 45 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]amino]-1,3-thiazol-4-yl]-N,N-diethylacetamide;6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-yl-N-[4-(trifluoromethyl)pyrimidin-2-yl]pyrimidin-4-amine;5-[6-(2,3-dihydro-1,4-benzoxazin-4-yl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[2-morpholin-4-yl-6-[2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;5-(2-morpholin-4-yl-6-quinolin-6-yloxypyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 159553843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).