4-[4-chloro-6-(1-ethylsulfonylcyclobutyl)pyrimidin-2-yl]morpholine;4-[4-chloro-6-(ethylsulfonylmethyl)pyrimidin-2-yl]morpholine;4-[4-chloro-6-(iodomethyl)pyrimidin-2-yl]morpholine;(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)methanol;(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)methyl methanesulfonate;ethanesulfinic acid;methane;methyl 6-chloro-2-morpholin-4-ylpyrimidine-4-carboxylate;methyl 2,6-dichloropyrimidine-4-carboxylate;5-[6-(1-methylsulfonylcyclobutyl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)-1,3,5-triazin-5-ium-2-amine

C101H136BCl8F6IN29O25S5+ — CID 160720778

About 4-[4-chloro-6-(1-ethylsulfonylcyclobutyl)pyrimidin-2-yl]morpholine;4-[4-chloro-6-(ethylsulfonylmethyl)pyrimidin-2-yl]morpholine;4-[4-chloro-6-(iodomethyl)pyrimidin-2-yl]morpholine;(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)methanol;(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)methyl methanesulfonate;ethanesulfinic acid;methane;methyl 6-chloro-2-morpholin-4-ylpyrimidine-4-carboxylate;methyl 2,6-dichloropyrimidine-4-carboxylate;5-[6-(1-methylsulfonylcyclobutyl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)-1,3,5-triazin-5-ium-2-amine

4-[4-chloro-6-(1-ethylsulfonylcyclobutyl)pyrimidin-2-yl]morpholine;4-[4-chloro-6-(ethylsulfonylmethyl)pyrimidin-2-yl]morpholine;4-[4-chloro-6-(iodomethyl)pyrimidin-2-yl]morpholine;(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)methanol;(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)methyl methanesulfonate;ethanesulfinic acid;methane;methyl 6-chloro-2-morpholin-4-ylpyrimidine-4-carboxylate;methyl 2,6-dichloropyrimidine-4-carboxylate;5-[6-(1-methylsulfonylcyclobutyl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)-1,3,5-triazin-5-ium-2-amine (PubChem CID 160720778) has the molecular formula C101H136BCl8F6IN29O25S5+ and a molecular weight of 2852.04 g/mol. Its IUPAC name is 4-[4-chloro-6-(1-ethylsulfonylcyclobutyl)pyrimidin-2-yl]morpholine;4-[4-chloro-6-(ethylsulfonylmethyl)pyrimidin-2-yl]morpholine;4-[4-chloro-6-(iodomethyl)pyrimidin-2-yl]morpholine;(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)methanol;(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)methyl methanesulfonate;ethanesulfinic acid;methane;methyl 6-chloro-2-morpholin-4-ylpyrimidine-4-carboxylate;methyl 2,6-dichloropyrimidine-4-carboxylate;5-[6-(1-methylsulfonylcyclobutyl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)-1,3,5-triazin-5-ium-2-amine.

Molecular Properties

• Compound Name: 4-[4-chloro-6-(1-ethylsulfonylcyclobutyl)pyrimidin-2-yl]morpholine;4-[4-chloro-6-(ethylsulfonylmethyl)pyrimidin-2-yl]morpholine;4-[4-chloro-6-(iodomethyl)pyrimidin-2-yl]morpholine;(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)methanol;(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)methyl methanesulfonate;ethanesulfinic acid;methane;methyl 6-chloro-2-morpholin-4-ylpyrimidine-4-carboxylate;methyl 2,6-dichloropyrimidine-4-carboxylate;5-[6-(1-methylsulfonylcyclobutyl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)-1,3,5-triazin-5-ium-2-amine
• PubChem CID: 160720778
• Molecular Formula: C101H136BCl8F6IN29O25S5+
• Molecular Weight: 2852.04 g/mol
• Exact Mass: 2846.54
• IUPAC Name: 4-[4-chloro-6-(1-ethylsulfonylcyclobutyl)pyrimidin-2-yl]morpholine;4-[4-chloro-6-(ethylsulfonylmethyl)pyrimidin-2-yl]morpholine;4-[4-chloro-6-(iodomethyl)pyrimidin-2-yl]morpholine;(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)methanol;(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)methyl methanesulfonate;ethanesulfinic acid;methane;methyl 6-chloro-2-morpholin-4-ylpyrimidine-4-carboxylate;methyl 2,6-dichloropyrimidine-4-carboxylate;5-[6-(1-methylsulfonylcyclobutyl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)-1,3,5-triazin-5-ium-2-amine
• SMILES: C.CC1(C)OB([n+]2cnc(N)nc2C(F)(F)F)OC1(C)C.CCS(=O)(=O)C1(c2cc(Cl)nc(N3CCOCC3)n2)CCC1.CCS(=O)(=O)Cc1cc(Cl)nc(N2CCOCC2)n1.CCS(=O)O.COC(=O)c1cc(Cl)nc(Cl)n1.COC(=O)c1cc(Cl)nc(N2CCOCC2)n1.CS(=O)(=O)C1(c2cc(-c3cnc(N)cc3C(F)(F)F)nc(N3CCOCC3)n2)CCC1.CS(=O)(=O)OCc1cc(Cl)nc(N2CCOCC2)n1.Clc1cc(CI)nc(N2CCOCC2)n1.OCc1cc(Cl)nc(N2CCOCC2)n1
• InChI: InChI=1S/C19H22F3N5O3S.C14H20ClN3O3S.C11H16ClN3O3S.C10H14BF3N4O2.C10H14ClN3O4S.C10H12ClN3O3.C9H11ClIN3O.C9H12ClN3O2.C6H4Cl2N2O2.C2H6O2S.CH4/c1-31(28,29)18(3-2-4-18)15-10-14(25-17(26-15)27-5-7-30-8-6-27)12-11-24-16(23)9-13(12)19(20,21)22;1-2-22(19,20)14(4-3-5-14)11-10-12(15)17-13(16-11)18-6-8-21-9-7-18;1-2-19(16,17)8-9-7-10(12)14-11(13-9)15-3-5-18-6-4-15;1-8(2)9(3,4)20-11(19-8)18-5-16-7(15)17-6(18)10(12,13)14;1-19(15,16)18-7-8-6-9(11)13-10(12-8)14-2-4-17-5-3-14;1-16-9(15)7-6-8(11)13-10(12-7)14-2-4-17-5-3-14;10-8-5-7(6-11)12-9(13-8)14-1-3-15-4-2-14;10-8-5-7(6-14)11-9(12-8)13-1-3-15-4-2-13;1-12-5(11)3-2-4(7)10-6(8)9-3;1-2-5(3)4;/h9-11H,2-8H2,1H3,(H2,23,24);10H,2-9H2,1H3;7H,2-6,8H2,1H3;5,15H,1-4H3;6H,2-5,7H2,1H3;6H,2-5H2,1H3;5H,1-4,6H2;5,14H,1-4,6H2;2H,1H3;2H2,1H3,(H,3,4);1H4/p+1
• InChIKey: DTFWSVFHCYJIFV-UHFFFAOYSA-O
• XLogP: 11.87
• TPSA: 662.50 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 52
• Rotatable Bonds: 25
• Heavy Atoms: 176
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2852.04
LogP ≤ 5	11.87
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	52

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[4-chloro-6-(1-ethylsulfonylcyclobutyl)pyrimidin-2-yl]morpholine;4-[4-chloro-6-(ethylsulfonylmethyl)pyrimidin-2-yl]morpholine;4-[4-chloro-6-(iodomethyl)pyrimidin-2-yl]morpholine;(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)methanol;(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)methyl methanesulfonate;ethanesulfinic acid;methane;methyl 6-chloro-2-morpholin-4-ylpyrimidine-4-carboxylate;methyl 2,6-dichloropyrimidine-4-carboxylate;5-[6-(1-methylsulfonylcyclobutyl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)-1,3,5-triazin-5-ium-2-amine?

The IUPAC name of 4-[4-chloro-6-(1-ethylsulfonylcyclobutyl)pyrimidin-2-yl]morpholine;4-[4-chloro-6-(ethylsulfonylmethyl)pyrimidin-2-yl]morpholine;4-[4-chloro-6-(iodomethyl)pyrimidin-2-yl]morpholine;(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)methanol;(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)methyl methanesulfonate;ethanesulfinic acid;methane;methyl 6-chloro-2-morpholin-4-ylpyrimidine-4-carboxylate;methyl 2,6-dichloropyrimidine-4-carboxylate;5-[6-(1-methylsulfonylcyclobutyl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)-1,3,5-triazin-5-ium-2-amine (CID 160720778) is 4-[4-chloro-6-(1-ethylsulfonylcyclobutyl)pyrimidin-2-yl]morpholine;4-[4-chloro-6-(ethylsulfonylmethyl)pyrimidin-2-yl]morpholine;4-[4-chloro-6-(iodomethyl)pyrimidin-2-yl]morpholine;(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)methanol;(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)methyl methanesulfonate;ethanesulfinic acid;methane;methyl 6-chloro-2-morpholin-4-ylpyrimidine-4-carboxylate;methyl 2,6-dichloropyrimidine-4-carboxylate;5-[6-(1-methylsulfonylcyclobutyl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)-1,3,5-triazin-5-ium-2-amine.

What is the SMILES notation for 4-[4-chloro-6-(1-ethylsulfonylcyclobutyl)pyrimidin-2-yl]morpholine;4-[4-chloro-6-(ethylsulfonylmethyl)pyrimidin-2-yl]morpholine;4-[4-chloro-6-(iodomethyl)pyrimidin-2-yl]morpholine;(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)methanol;(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)methyl methanesulfonate;ethanesulfinic acid;methane;methyl 6-chloro-2-morpholin-4-ylpyrimidine-4-carboxylate;methyl 2,6-dichloropyrimidine-4-carboxylate;5-[6-(1-methylsulfonylcyclobutyl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)-1,3,5-triazin-5-ium-2-amine?

The canonical SMILES for 4-[4-chloro-6-(1-ethylsulfonylcyclobutyl)pyrimidin-2-yl]morpholine;4-[4-chloro-6-(ethylsulfonylmethyl)pyrimidin-2-yl]morpholine;4-[4-chloro-6-(iodomethyl)pyrimidin-2-yl]morpholine;(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)methanol;(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)methyl methanesulfonate;ethanesulfinic acid;methane;methyl 6-chloro-2-morpholin-4-ylpyrimidine-4-carboxylate;methyl 2,6-dichloropyrimidine-4-carboxylate;5-[6-(1-methylsulfonylcyclobutyl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)-1,3,5-triazin-5-ium-2-amine is C.CC1(C)OB([n+]2cnc(N)nc2C(F)(F)F)OC1(C)C.CCS(=O)(=O)C1(c2cc(Cl)nc(N3CCOCC3)n2)CCC1.CCS(=O)(=O)Cc1cc(Cl)nc(N2CCOCC2)n1.CCS(=O)O.COC(=O)c1cc(Cl)nc(Cl)n1.COC(=O)c1cc(Cl)nc(N2CCOCC2)n1.CS(=O)(=O)C1(c2cc(-c3cnc(N)cc3C(F)(F)F)nc(N3CCOCC3)n2)CCC1.CS(=O)(=O)OCc1cc(Cl)nc(N2CCOCC2)n1.Clc1cc(CI)nc(N2CCOCC2)n1.OCc1cc(Cl)nc(N2CCOCC2)n1.

What is the InChIKey of 4-[4-chloro-6-(1-ethylsulfonylcyclobutyl)pyrimidin-2-yl]morpholine;4-[4-chloro-6-(ethylsulfonylmethyl)pyrimidin-2-yl]morpholine;4-[4-chloro-6-(iodomethyl)pyrimidin-2-yl]morpholine;(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)methanol;(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)methyl methanesulfonate;ethanesulfinic acid;methane;methyl 6-chloro-2-morpholin-4-ylpyrimidine-4-carboxylate;methyl 2,6-dichloropyrimidine-4-carboxylate;5-[6-(1-methylsulfonylcyclobutyl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)-1,3,5-triazin-5-ium-2-amine?

The InChIKey is DTFWSVFHCYJIFV-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H22F3N5O3S.C14H20ClN3O3S.C11H16ClN3O3S.C10H14BF3N4O2.C10H14ClN3O4S.C10H12ClN3O3.C9H11ClIN3O.C9H12ClN3O2.C6H4Cl2N2O2.C2H6O2S.CH4/c1-31(28,29)18(3-2-4-18)15-10-14(25-17(26-15)27-5-7-30-8-6-27)12-11-24-16(23)9-13(12)19(20,21)22;1-2-22(19,20)14(4-3-5-14)11-10-12(15)17-13(16-11)18-6-8-21-9-7-18;1-2-19(16,17)8-9-7-10(12)14-11(13-9)15-3-5-18-6-4-15;1-8(2)9(3,4)20-11(19-8)18-5-16-7(15)17-6(18)10(12,13)14;1-19(15,16)18-7-8-6-9(11)13-10(12-8)14-2-4-17-5-3-14;1-16-9(15)7-6-8(11)13-10(12-7)14-2-4-17-5-3-14;10-8-5-7(6-11)12-9(13-8)14-1-3-15-4-2-14;10-8-5-7(6-14)11-9(12-8)13-1-3-15-4-2-13;1-12-5(11)3-2-4(7)10-6(8)9-3;1-2-5(3)4;/h9-11H,2-8H2,1H3,(H2,23,24);10H,2-9H2,1H3;7H,2-6,8H2,1H3;5,15H,1-4H3;6H,2-5,7H2,1H3;6H,2-5H2,1H3;5H,1-4,6H2;5,14H,1-4,6H2;2H,1H3;2H2,1H3,(H,3,4);1H4/p+1.

What are the key properties of 4-[4-chloro-6-(1-ethylsulfonylcyclobutyl)pyrimidin-2-yl]morpholine;4-[4-chloro-6-(ethylsulfonylmethyl)pyrimidin-2-yl]morpholine;4-[4-chloro-6-(iodomethyl)pyrimidin-2-yl]morpholine;(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)methanol;(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)methyl methanesulfonate;ethanesulfinic acid;methane;methyl 6-chloro-2-morpholin-4-ylpyrimidine-4-carboxylate;methyl 2,6-dichloropyrimidine-4-carboxylate;5-[6-(1-methylsulfonylcyclobutyl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)-1,3,5-triazin-5-ium-2-amine?

4-[4-chloro-6-(1-ethylsulfonylcyclobutyl)pyrimidin-2-yl]morpholine;4-[4-chloro-6-(ethylsulfonylmethyl)pyrimidin-2-yl]morpholine;4-[4-chloro-6-(iodomethyl)pyrimidin-2-yl]morpholine;(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)methanol;(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)methyl methanesulfonate;ethanesulfinic acid;methane;methyl 6-chloro-2-morpholin-4-ylpyrimidine-4-carboxylate;methyl 2,6-dichloropyrimidine-4-carboxylate;5-[6-(1-methylsulfonylcyclobutyl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)-1,3,5-triazin-5-ium-2-amine has a molecular weight of 2852.04 g/mol, XLogP of 11.87, 25 rotatable bonds, 4 hydrogen bond donors, and 52 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-chloro-6-(1-ethylsulfonylcyclobutyl)pyrimidin-2-yl]morpholine;4-[4-chloro-6-(ethylsulfonylmethyl)pyrimidin-2-yl]morpholine;4-[4-chloro-6-(iodomethyl)pyrimidin-2-yl]morpholine;(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)methanol;(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)methyl methanesulfonate;ethanesulfinic acid;methane;methyl 6-chloro-2-morpholin-4-ylpyrimidine-4-carboxylate;methyl 2,6-dichloropyrimidine-4-carboxylate;5-[6-(1-methylsulfonylcyclobutyl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)-1,3,5-triazin-5-ium-2-amine is sourced from PubChem (CID 160720778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).