6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-N-[3-methoxy-4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]-2-morpholin-4-ylpyrimidin-4-amine;6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-yl-N-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]pyrimidin-4-amine;N-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-4-phenyl-1,3-thiazol-2-amine;2-[[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]amino]-1,3-thiazole-5-carbonitrile;5-[6-(2,3-dihydro-1,4-benzoxazin-4-yl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyrimidin-2-amine

C118H124F15N37O9S2 — CID 161481935

About 6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-N-[3-methoxy-4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]-2-morpholin-4-ylpyrimidin-4-amine;6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-yl-N-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]pyrimidin-4-amine;N-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-4-phenyl-1,3-thiazol-2-amine;2-[[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]amino]-1,3-thiazole-5-carbonitrile;5-[6-(2,3-dihydro-1,4-benzoxazin-4-yl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyrimidin-2-amine

6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-N-[3-methoxy-4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]-2-morpholin-4-ylpyrimidin-4-amine;6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-yl-N-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]pyrimidin-4-amine;N-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-4-phenyl-1,3-thiazol-2-amine;2-[[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]amino]-1,3-thiazole-5-carbonitrile;5-[6-(2,3-dihydro-1,4-benzoxazin-4-yl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 161481935) has the molecular formula C118H124F15N37O9S2 and a molecular weight of 2553.64 g/mol. Its IUPAC name is 6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-N-[3-methoxy-4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]-2-morpholin-4-ylpyrimidin-4-amine;6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-yl-N-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]pyrimidin-4-amine;N-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-4-phenyl-1,3-thiazol-2-amine;2-[[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]amino]-1,3-thiazole-5-carbonitrile;5-[6-(2,3-dihydro-1,4-benzoxazin-4-yl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

• Compound Name: 6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-N-[3-methoxy-4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]-2-morpholin-4-ylpyrimidin-4-amine;6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-yl-N-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]pyrimidin-4-amine;N-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-4-phenyl-1,3-thiazol-2-amine;2-[[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]amino]-1,3-thiazole-5-carbonitrile;5-[6-(2,3-dihydro-1,4-benzoxazin-4-yl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyrimidin-2-amine
• PubChem CID: 161481935
• Molecular Formula: C118H124F15N37O9S2
• Molecular Weight: 2553.64 g/mol
• Exact Mass: 2551.96
• IUPAC Name: 6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-N-[3-methoxy-4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]-2-morpholin-4-ylpyrimidin-4-amine;6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-yl-N-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]pyrimidin-4-amine;N-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-4-phenyl-1,3-thiazol-2-amine;2-[[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]amino]-1,3-thiazole-5-carbonitrile;5-[6-(2,3-dihydro-1,4-benzoxazin-4-yl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyrimidin-2-amine
• SMILES: CC(C)N1CCC(Oc2ccc(Nc3cc(-c4cnc(N)cc4C(F)(F)F)nc(N4CCOCC4)n3)cc2)CC1.COc1cc(Nc2cc(-c3cnc(N)cc3C(F)(F)F)nc(N3CCOCC3)n2)ccc1OC1CCN(C(C)C)CC1.N#Cc1cnc(Nc2cc(-c3cnc(N)nc3C(F)(F)F)nc(N3CCOCC3)n2)s1.Nc1cc(C(F)(F)F)c(-c2cc(Nc3nc(-c4ccccc4)cs3)nc(N3CCOCC3)n2)cn1.Nc1ncc(-c2cc(N3CCOc4ccccc43)nc(N3CCOCC3)n2)c(C(F)(F)F)n1
• InChI: InChI=1S/C29H36F3N7O3.C28H34F3N7O2.C23H20F3N7OS.C21H20F3N7O2.C17H14F3N9OS/c1-18(2)38-8-6-20(7-9-38)42-24-5-4-19(14-25(24)40-3)35-27-16-23(36-28(37-27)39-10-12-41-13-11-39)21-17-34-26(33)15-22(21)29(30,31)32;1-18(2)37-9-7-21(8-10-37)40-20-5-3-19(4-6-20)34-26-16-24(35-27(36-26)38-11-13-39-14-12-38)22-17-33-25(32)15-23(22)28(29,30)31;24-23(25,26)16-10-19(27)28-12-15(16)17-11-20(31-21(29-17)33-6-8-34-9-7-33)32-22-30-18(13-35-22)14-4-2-1-3-5-14;22-21(23,24)18-13(12-26-19(25)29-18)14-11-17(28-20(27-14)30-5-8-32-9-6-30)31-7-10-33-16-4-2-1-3-15(16)31;18-17(19,20)13-10(8-23-14(22)28-13)11-5-12(27-16-24-7-9(6-21)31-16)26-15(25-11)29-1-3-30-4-2-29/h4-5,14-18,20H,6-13H2,1-3H3,(H2,33,34)(H,35,36,37);3-6,15-18,21H,7-14H2,1-2H3,(H2,32,33)(H,34,35,36);1-5,10-13H,6-9H2,(H2,27,28)(H,29,30,31,32);1-4,11-12H,5-10H2,(H2,25,26,29);5,7-8H,1-4H2,(H2,22,23,28)(H,24,25,26,27)
• InChIKey: WEMAIUQSMIBCQH-UHFFFAOYSA-N
• XLogP: 20.14
• TPSA: 555.91 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 48
• Rotatable Bonds: 27
• Heavy Atoms: 181
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2553.64
LogP ≤ 5	20.14
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	48

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-N-[3-methoxy-4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]-2-morpholin-4-ylpyrimidin-4-amine;6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-yl-N-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]pyrimidin-4-amine;N-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-4-phenyl-1,3-thiazol-2-amine;2-[[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]amino]-1,3-thiazole-5-carbonitrile;5-[6-(2,3-dihydro-1,4-benzoxazin-4-yl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyrimidin-2-amine?

The IUPAC name of 6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-N-[3-methoxy-4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]-2-morpholin-4-ylpyrimidin-4-amine;6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-yl-N-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]pyrimidin-4-amine;N-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-4-phenyl-1,3-thiazol-2-amine;2-[[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]amino]-1,3-thiazole-5-carbonitrile;5-[6-(2,3-dihydro-1,4-benzoxazin-4-yl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyrimidin-2-amine (CID 161481935) is 6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-N-[3-methoxy-4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]-2-morpholin-4-ylpyrimidin-4-amine;6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-yl-N-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]pyrimidin-4-amine;N-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-4-phenyl-1,3-thiazol-2-amine;2-[[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]amino]-1,3-thiazole-5-carbonitrile;5-[6-(2,3-dihydro-1,4-benzoxazin-4-yl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyrimidin-2-amine.

What is the SMILES notation for 6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-N-[3-methoxy-4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]-2-morpholin-4-ylpyrimidin-4-amine;6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-yl-N-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]pyrimidin-4-amine;N-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-4-phenyl-1,3-thiazol-2-amine;2-[[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]amino]-1,3-thiazole-5-carbonitrile;5-[6-(2,3-dihydro-1,4-benzoxazin-4-yl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyrimidin-2-amine?

The canonical SMILES for 6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-N-[3-methoxy-4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]-2-morpholin-4-ylpyrimidin-4-amine;6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-yl-N-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]pyrimidin-4-amine;N-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-4-phenyl-1,3-thiazol-2-amine;2-[[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]amino]-1,3-thiazole-5-carbonitrile;5-[6-(2,3-dihydro-1,4-benzoxazin-4-yl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyrimidin-2-amine is CC(C)N1CCC(Oc2ccc(Nc3cc(-c4cnc(N)cc4C(F)(F)F)nc(N4CCOCC4)n3)cc2)CC1.COc1cc(Nc2cc(-c3cnc(N)cc3C(F)(F)F)nc(N3CCOCC3)n2)ccc1OC1CCN(C(C)C)CC1.N#Cc1cnc(Nc2cc(-c3cnc(N)nc3C(F)(F)F)nc(N3CCOCC3)n2)s1.Nc1cc(C(F)(F)F)c(-c2cc(Nc3nc(-c4ccccc4)cs3)nc(N3CCOCC3)n2)cn1.Nc1ncc(-c2cc(N3CCOc4ccccc43)nc(N3CCOCC3)n2)c(C(F)(F)F)n1.

What is the InChIKey of 6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-N-[3-methoxy-4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]-2-morpholin-4-ylpyrimidin-4-amine;6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-yl-N-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]pyrimidin-4-amine;N-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-4-phenyl-1,3-thiazol-2-amine;2-[[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]amino]-1,3-thiazole-5-carbonitrile;5-[6-(2,3-dihydro-1,4-benzoxazin-4-yl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyrimidin-2-amine?

The InChIKey is WEMAIUQSMIBCQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36F3N7O3.C28H34F3N7O2.C23H20F3N7OS.C21H20F3N7O2.C17H14F3N9OS/c1-18(2)38-8-6-20(7-9-38)42-24-5-4-19(14-25(24)40-3)35-27-16-23(36-28(37-27)39-10-12-41-13-11-39)21-17-34-26(33)15-22(21)29(30,31)32;1-18(2)37-9-7-21(8-10-37)40-20-5-3-19(4-6-20)34-26-16-24(35-27(36-26)38-11-13-39-14-12-38)22-17-33-25(32)15-23(22)28(29,30)31;24-23(25,26)16-10-19(27)28-12-15(16)17-11-20(31-21(29-17)33-6-8-34-9-7-33)32-22-30-18(13-35-22)14-4-2-1-3-5-14;22-21(23,24)18-13(12-26-19(25)29-18)14-11-17(28-20(27-14)30-5-8-32-9-6-30)31-7-10-33-16-4-2-1-3-15(16)31;18-17(19,20)13-10(8-23-14(22)28-13)11-5-12(27-16-24-7-9(6-21)31-16)26-15(25-11)29-1-3-30-4-2-29/h4-5,14-18,20H,6-13H2,1-3H3,(H2,33,34)(H,35,36,37);3-6,15-18,21H,7-14H2,1-2H3,(H2,32,33)(H,34,35,36);1-5,10-13H,6-9H2,(H2,27,28)(H,29,30,31,32);1-4,11-12H,5-10H2,(H2,25,26,29);5,7-8H,1-4H2,(H2,22,23,28)(H,24,25,26,27).

What are the key properties of 6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-N-[3-methoxy-4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]-2-morpholin-4-ylpyrimidin-4-amine;6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-yl-N-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]pyrimidin-4-amine;N-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-4-phenyl-1,3-thiazol-2-amine;2-[[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]amino]-1,3-thiazole-5-carbonitrile;5-[6-(2,3-dihydro-1,4-benzoxazin-4-yl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyrimidin-2-amine?

6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-N-[3-methoxy-4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]-2-morpholin-4-ylpyrimidin-4-amine;6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-yl-N-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]pyrimidin-4-amine;N-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-4-phenyl-1,3-thiazol-2-amine;2-[[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]amino]-1,3-thiazole-5-carbonitrile;5-[6-(2,3-dihydro-1,4-benzoxazin-4-yl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 2553.64 g/mol, XLogP of 20.14, 27 rotatable bonds, 9 hydrogen bond donors, and 48 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-N-[3-methoxy-4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]-2-morpholin-4-ylpyrimidin-4-amine;6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-yl-N-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]pyrimidin-4-amine;N-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-4-phenyl-1,3-thiazol-2-amine;2-[[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]amino]-1,3-thiazole-5-carbonitrile;5-[6-(2,3-dihydro-1,4-benzoxazin-4-yl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 161481935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).