6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-N-(6-methylsulfonyl-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-amine;4-[4-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-6-[2-(sulfinatoamino)-3-pyridinyl]pyrimidin-2-yl]morpholine;methane;methyl 4-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidine-1-carboxylate;5-[6-(1-methylsulfonylpiperidin-4-yl)oxy-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyrimidin-2-amine;5-[2-morpholin-4-yl-6-(oxan-4-yloxy)pyrimidin-4-yl]-4-(trifluoromethyl)pyrimidin-2-amine

C95H108F15N36O17S3- — CID 158951098

About 6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-N-(6-methylsulfonyl-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-amine;4-[4-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-6-[2-(sulfinatoamino)-3-pyridinyl]pyrimidin-2-yl]morpholine;methane;methyl 4-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidine-1-carboxylate;5-[6-(1-methylsulfonylpiperidin-4-yl)oxy-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyrimidin-2-amine;5-[2-morpholin-4-yl-6-(oxan-4-yloxy)pyrimidin-4-yl]-4-(trifluoromethyl)pyrimidin-2-amine

6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-N-(6-methylsulfonyl-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-amine;4-[4-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-6-[2-(sulfinatoamino)-3-pyridinyl]pyrimidin-2-yl]morpholine;methane;methyl 4-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidine-1-carboxylate;5-[6-(1-methylsulfonylpiperidin-4-yl)oxy-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyrimidin-2-amine;5-[2-morpholin-4-yl-6-(oxan-4-yloxy)pyrimidin-4-yl]-4-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 158951098) has the molecular formula C95H108F15N36O17S3- and a molecular weight of 2407.31 g/mol. Its IUPAC name is 6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-N-(6-methylsulfonyl-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-amine;4-[4-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-6-[2-(sulfinatoamino)-3-pyridinyl]pyrimidin-2-yl]morpholine;methane;methyl 4-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidine-1-carboxylate;5-[6-(1-methylsulfonylpiperidin-4-yl)oxy-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyrimidin-2-amine;5-[2-morpholin-4-yl-6-(oxan-4-yloxy)pyrimidin-4-yl]-4-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

• Compound Name: 6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-N-(6-methylsulfonyl-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-amine;4-[4-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-6-[2-(sulfinatoamino)-3-pyridinyl]pyrimidin-2-yl]morpholine;methane;methyl 4-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidine-1-carboxylate;5-[6-(1-methylsulfonylpiperidin-4-yl)oxy-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyrimidin-2-amine;5-[2-morpholin-4-yl-6-(oxan-4-yloxy)pyrimidin-4-yl]-4-(trifluoromethyl)pyrimidin-2-amine
• PubChem CID: 158951098
• Molecular Formula: C95H108F15N36O17S3-
• Molecular Weight: 2407.31 g/mol
• Exact Mass: 2405.76
• IUPAC Name: 6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-N-(6-methylsulfonyl-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-amine;4-[4-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-6-[2-(sulfinatoamino)-3-pyridinyl]pyrimidin-2-yl]morpholine;methane;methyl 4-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidine-1-carboxylate;5-[6-(1-methylsulfonylpiperidin-4-yl)oxy-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyrimidin-2-amine;5-[2-morpholin-4-yl-6-(oxan-4-yloxy)pyrimidin-4-yl]-4-(trifluoromethyl)pyrimidin-2-amine
• SMILES: C.COC(=O)N1CCC(Oc2cc(-c3cnc(N)nc3C(F)(F)F)nc(N3CCOCC3)n2)CC1.CS(=O)(=O)N1CCC(Oc2cc(-c3cnc(N)nc3C(F)(F)F)nc(N3CCOCC3)n2)CC1.CS(=O)(=O)c1ccc(Nc2cc(-c3cnc(N)nc3C(F)(F)F)nc(N3CCOCC3)n2)cn1.Nc1ncc(-c2cc(-c3cccnc3NS(=O)[O-])nc(N3CCOCC3)n2)c(C(F)(F)F)n1.Nc1ncc(-c2cc(OC3CCOCC3)nc(N3CCOCC3)n2)c(C(F)(F)F)n1
• InChI: InChI=1S/C20H24F3N7O4.C19H19F3N8O3S.C19H24F3N7O4S.C18H17F3N8O3S.C18H21F3N6O3.CH4/c1-32-19(31)30-4-2-12(3-5-30)34-15-10-14(26-18(27-15)29-6-8-33-9-7-29)13-11-25-17(24)28-16(13)20(21,22)23;1-34(31,32)15-3-2-11(9-24-15)26-14-8-13(27-18(28-14)30-4-6-33-7-5-30)12-10-25-17(23)29-16(12)19(20,21)22;1-34(30,31)29-4-2-12(3-5-29)33-15-10-14(25-18(26-15)28-6-8-32-9-7-28)13-11-24-17(23)27-16(13)19(20,21)22;19-18(20,21)14-11(9-24-16(22)27-14)13-8-12(10-2-1-3-23-15(10)28-33(30)31)25-17(26-13)29-4-6-32-7-5-29;19-18(20,21)15-12(10-23-16(22)26-15)13-9-14(30-11-1-5-28-6-2-11)25-17(24-13)27-3-7-29-8-4-27;/h10-12H,2-9H2,1H3,(H2,24,25,28);2-3,8-10H,4-7H2,1H3,(H2,23,25,29)(H,26,27,28);10-12H,2-9H2,1H3,(H2,23,24,27);1-3,8-9H,4-7H2,(H,23,28)(H,30,31)(H2,22,24,27);9-11H,1-8H2,(H2,22,23,26);1H4/p-1
• InChIKey: NHBQEFAUHFYLJU-UHFFFAOYSA-M
• XLogP: 9.27
• TPSA: 678.20 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 50
• Rotatable Bonds: 23
• Heavy Atoms: 166
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2407.31
LogP ≤ 5	9.27
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	50

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-N-(6-methylsulfonyl-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-amine;4-[4-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-6-[2-(sulfinatoamino)-3-pyridinyl]pyrimidin-2-yl]morpholine;methane;methyl 4-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidine-1-carboxylate;5-[6-(1-methylsulfonylpiperidin-4-yl)oxy-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyrimidin-2-amine;5-[2-morpholin-4-yl-6-(oxan-4-yloxy)pyrimidin-4-yl]-4-(trifluoromethyl)pyrimidin-2-amine?

The IUPAC name of 6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-N-(6-methylsulfonyl-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-amine;4-[4-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-6-[2-(sulfinatoamino)-3-pyridinyl]pyrimidin-2-yl]morpholine;methane;methyl 4-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidine-1-carboxylate;5-[6-(1-methylsulfonylpiperidin-4-yl)oxy-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyrimidin-2-amine;5-[2-morpholin-4-yl-6-(oxan-4-yloxy)pyrimidin-4-yl]-4-(trifluoromethyl)pyrimidin-2-amine (CID 158951098) is 6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-N-(6-methylsulfonyl-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-amine;4-[4-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-6-[2-(sulfinatoamino)-3-pyridinyl]pyrimidin-2-yl]morpholine;methane;methyl 4-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidine-1-carboxylate;5-[6-(1-methylsulfonylpiperidin-4-yl)oxy-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyrimidin-2-amine;5-[2-morpholin-4-yl-6-(oxan-4-yloxy)pyrimidin-4-yl]-4-(trifluoromethyl)pyrimidin-2-amine.

What is the SMILES notation for 6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-N-(6-methylsulfonyl-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-amine;4-[4-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-6-[2-(sulfinatoamino)-3-pyridinyl]pyrimidin-2-yl]morpholine;methane;methyl 4-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidine-1-carboxylate;5-[6-(1-methylsulfonylpiperidin-4-yl)oxy-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyrimidin-2-amine;5-[2-morpholin-4-yl-6-(oxan-4-yloxy)pyrimidin-4-yl]-4-(trifluoromethyl)pyrimidin-2-amine?

The canonical SMILES for 6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-N-(6-methylsulfonyl-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-amine;4-[4-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-6-[2-(sulfinatoamino)-3-pyridinyl]pyrimidin-2-yl]morpholine;methane;methyl 4-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidine-1-carboxylate;5-[6-(1-methylsulfonylpiperidin-4-yl)oxy-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyrimidin-2-amine;5-[2-morpholin-4-yl-6-(oxan-4-yloxy)pyrimidin-4-yl]-4-(trifluoromethyl)pyrimidin-2-amine is C.COC(=O)N1CCC(Oc2cc(-c3cnc(N)nc3C(F)(F)F)nc(N3CCOCC3)n2)CC1.CS(=O)(=O)N1CCC(Oc2cc(-c3cnc(N)nc3C(F)(F)F)nc(N3CCOCC3)n2)CC1.CS(=O)(=O)c1ccc(Nc2cc(-c3cnc(N)nc3C(F)(F)F)nc(N3CCOCC3)n2)cn1.Nc1ncc(-c2cc(-c3cccnc3NS(=O)[O-])nc(N3CCOCC3)n2)c(C(F)(F)F)n1.Nc1ncc(-c2cc(OC3CCOCC3)nc(N3CCOCC3)n2)c(C(F)(F)F)n1.

What is the InChIKey of 6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-N-(6-methylsulfonyl-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-amine;4-[4-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-6-[2-(sulfinatoamino)-3-pyridinyl]pyrimidin-2-yl]morpholine;methane;methyl 4-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidine-1-carboxylate;5-[6-(1-methylsulfonylpiperidin-4-yl)oxy-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyrimidin-2-amine;5-[2-morpholin-4-yl-6-(oxan-4-yloxy)pyrimidin-4-yl]-4-(trifluoromethyl)pyrimidin-2-amine?

The InChIKey is NHBQEFAUHFYLJU-UHFFFAOYSA-M. The full InChI is InChI=1S/C20H24F3N7O4.C19H19F3N8O3S.C19H24F3N7O4S.C18H17F3N8O3S.C18H21F3N6O3.CH4/c1-32-19(31)30-4-2-12(3-5-30)34-15-10-14(26-18(27-15)29-6-8-33-9-7-29)13-11-25-17(24)28-16(13)20(21,22)23;1-34(31,32)15-3-2-11(9-24-15)26-14-8-13(27-18(28-14)30-4-6-33-7-5-30)12-10-25-17(23)29-16(12)19(20,21)22;1-34(30,31)29-4-2-12(3-5-29)33-15-10-14(25-18(26-15)28-6-8-32-9-7-28)13-11-24-17(23)27-16(13)19(20,21)22;19-18(20,21)14-11(9-24-16(22)27-14)13-8-12(10-2-1-3-23-15(10)28-33(30)31)25-17(26-13)29-4-6-32-7-5-29;19-18(20,21)15-12(10-23-16(22)26-15)13-9-14(30-11-1-5-28-6-2-11)25-17(24-13)27-3-7-29-8-4-27;/h10-12H,2-9H2,1H3,(H2,24,25,28);2-3,8-10H,4-7H2,1H3,(H2,23,25,29)(H,26,27,28);10-12H,2-9H2,1H3,(H2,23,24,27);1-3,8-9H,4-7H2,(H,23,28)(H,30,31)(H2,22,24,27);9-11H,1-8H2,(H2,22,23,26);1H4/p-1.

What are the key properties of 6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-N-(6-methylsulfonyl-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-amine;4-[4-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-6-[2-(sulfinatoamino)-3-pyridinyl]pyrimidin-2-yl]morpholine;methane;methyl 4-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidine-1-carboxylate;5-[6-(1-methylsulfonylpiperidin-4-yl)oxy-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyrimidin-2-amine;5-[2-morpholin-4-yl-6-(oxan-4-yloxy)pyrimidin-4-yl]-4-(trifluoromethyl)pyrimidin-2-amine?

6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-N-(6-methylsulfonyl-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-amine;4-[4-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-6-[2-(sulfinatoamino)-3-pyridinyl]pyrimidin-2-yl]morpholine;methane;methyl 4-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidine-1-carboxylate;5-[6-(1-methylsulfonylpiperidin-4-yl)oxy-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyrimidin-2-amine;5-[2-morpholin-4-yl-6-(oxan-4-yloxy)pyrimidin-4-yl]-4-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 2407.31 g/mol, XLogP of 9.27, 23 rotatable bonds, 7 hydrogen bond donors, and 50 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-N-(6-methylsulfonyl-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-amine;4-[4-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-6-[2-(sulfinatoamino)-3-pyridinyl]pyrimidin-2-yl]morpholine;methane;methyl 4-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidine-1-carboxylate;5-[6-(1-methylsulfonylpiperidin-4-yl)oxy-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyrimidin-2-amine;5-[2-morpholin-4-yl-6-(oxan-4-yloxy)pyrimidin-4-yl]-4-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 158951098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).