4-[4-chloro-6-(chloromethyl)pyrimidin-2-yl]morpholine;4-[4-chloro-6-[(3-fluorophenyl)sulfanylmethyl]pyrimidin-2-yl]morpholine;4-[4-chloro-6-[1-(3-fluorophenyl)sulfonylcyclopropyl]pyrimidin-2-yl]morpholine;4-[4-chloro-6-[(3-fluorophenyl)sulfonylmethyl]pyrimidin-2-yl]morpholine;5-[6-[1-(3-fluorophenyl)sulfonylcyclopropyl]-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)pyridin-2-amine

C91H95BCl5F10N19O13S4 — CID 159149180

About 4-[4-chloro-6-(chloromethyl)pyrimidin-2-yl]morpholine;4-[4-chloro-6-[(3-fluorophenyl)sulfanylmethyl]pyrimidin-2-yl]morpholine;4-[4-chloro-6-[1-(3-fluorophenyl)sulfonylcyclopropyl]pyrimidin-2-yl]morpholine;4-[4-chloro-6-[(3-fluorophenyl)sulfonylmethyl]pyrimidin-2-yl]morpholine;5-[6-[1-(3-fluorophenyl)sulfonylcyclopropyl]-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)pyridin-2-amine

4-[4-chloro-6-(chloromethyl)pyrimidin-2-yl]morpholine;4-[4-chloro-6-[(3-fluorophenyl)sulfanylmethyl]pyrimidin-2-yl]morpholine;4-[4-chloro-6-[1-(3-fluorophenyl)sulfonylcyclopropyl]pyrimidin-2-yl]morpholine;4-[4-chloro-6-[(3-fluorophenyl)sulfonylmethyl]pyrimidin-2-yl]morpholine;5-[6-[1-(3-fluorophenyl)sulfonylcyclopropyl]-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)pyridin-2-amine (PubChem CID 159149180) has the molecular formula C91H95BCl5F10N19O13S4 and a molecular weight of 2169.21 g/mol. Its IUPAC name is 4-[4-chloro-6-(chloromethyl)pyrimidin-2-yl]morpholine;4-[4-chloro-6-[(3-fluorophenyl)sulfanylmethyl]pyrimidin-2-yl]morpholine;4-[4-chloro-6-[1-(3-fluorophenyl)sulfonylcyclopropyl]pyrimidin-2-yl]morpholine;4-[4-chloro-6-[(3-fluorophenyl)sulfonylmethyl]pyrimidin-2-yl]morpholine;5-[6-[1-(3-fluorophenyl)sulfonylcyclopropyl]-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)pyridin-2-amine.

Molecular Properties

• Compound Name: 4-[4-chloro-6-(chloromethyl)pyrimidin-2-yl]morpholine;4-[4-chloro-6-[(3-fluorophenyl)sulfanylmethyl]pyrimidin-2-yl]morpholine;4-[4-chloro-6-[1-(3-fluorophenyl)sulfonylcyclopropyl]pyrimidin-2-yl]morpholine;4-[4-chloro-6-[(3-fluorophenyl)sulfonylmethyl]pyrimidin-2-yl]morpholine;5-[6-[1-(3-fluorophenyl)sulfonylcyclopropyl]-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)pyridin-2-amine
• PubChem CID: 159149180
• Molecular Formula: C91H95BCl5F10N19O13S4
• Molecular Weight: 2169.21 g/mol
• Exact Mass: 2165.46
• IUPAC Name: 4-[4-chloro-6-(chloromethyl)pyrimidin-2-yl]morpholine;4-[4-chloro-6-[(3-fluorophenyl)sulfanylmethyl]pyrimidin-2-yl]morpholine;4-[4-chloro-6-[1-(3-fluorophenyl)sulfonylcyclopropyl]pyrimidin-2-yl]morpholine;4-[4-chloro-6-[(3-fluorophenyl)sulfonylmethyl]pyrimidin-2-yl]morpholine;5-[6-[1-(3-fluorophenyl)sulfonylcyclopropyl]-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)pyridin-2-amine
• SMILES: CC1(C)OB(c2cnc(N)cc2C(F)(F)F)OC1(C)C.ClCc1cc(Cl)nc(N2CCOCC2)n1.Fc1cccc(SCc2cc(Cl)nc(N3CCOCC3)n2)c1.Nc1cc(C(F)(F)F)c(-c2cc(C3(S(=O)(=O)c4cccc(F)c4)CC3)nc(N3CCOCC3)n2)cn1.O=S(=O)(Cc1cc(Cl)nc(N2CCOCC2)n1)c1cccc(F)c1.O=S(=O)(c1cccc(F)c1)C1(c2cc(Cl)nc(N3CCOCC3)n2)CC1
• InChI: InChI=1S/C23H21F4N5O3S.C17H17ClFN3O3S.C15H15ClFN3O3S.C15H15ClFN3OS.C12H16BF3N2O2.C9H11Cl2N3O/c24-14-2-1-3-15(10-14)36(33,34)22(4-5-22)19-12-18(30-21(31-19)32-6-8-35-9-7-32)16-13-29-20(28)11-17(16)23(25,26)27;18-15-11-14(20-16(21-15)22-6-8-25-9-7-22)17(4-5-17)26(23,24)13-3-1-2-12(19)10-13;16-14-9-12(18-15(19-14)20-4-6-23-7-5-20)10-24(21,22)13-3-1-2-11(17)8-13;16-14-9-12(10-22-13-3-1-2-11(17)8-13)18-15(19-14)20-4-6-21-7-5-20;1-10(2)11(3,4)20-13(19-10)8-6-18-9(17)5-7(8)12(14,15)16;10-6-7-5-8(11)13-9(12-7)14-1-3-15-4-2-14/h1-3,10-13H,4-9H2,(H2,28,29);1-3,10-11H,4-9H2;1-3,8-9H,4-7,10H2;1-3,8-9H,4-7,10H2;5-6H,1-4H3,(H2,17,18);5H,1-4,6H2
• InChIKey: KJBGXLXNGBAVGT-UHFFFAOYSA-N
• XLogP: 15.31
• TPSA: 389.95 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 33
• Rotatable Bonds: 20
• Heavy Atoms: 143
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2169.21
LogP ≤ 5	15.31
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[4-chloro-6-(chloromethyl)pyrimidin-2-yl]morpholine;4-[4-chloro-6-[(3-fluorophenyl)sulfanylmethyl]pyrimidin-2-yl]morpholine;4-[4-chloro-6-[1-(3-fluorophenyl)sulfonylcyclopropyl]pyrimidin-2-yl]morpholine;4-[4-chloro-6-[(3-fluorophenyl)sulfonylmethyl]pyrimidin-2-yl]morpholine;5-[6-[1-(3-fluorophenyl)sulfonylcyclopropyl]-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)pyridin-2-amine?

The IUPAC name of 4-[4-chloro-6-(chloromethyl)pyrimidin-2-yl]morpholine;4-[4-chloro-6-[(3-fluorophenyl)sulfanylmethyl]pyrimidin-2-yl]morpholine;4-[4-chloro-6-[1-(3-fluorophenyl)sulfonylcyclopropyl]pyrimidin-2-yl]morpholine;4-[4-chloro-6-[(3-fluorophenyl)sulfonylmethyl]pyrimidin-2-yl]morpholine;5-[6-[1-(3-fluorophenyl)sulfonylcyclopropyl]-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)pyridin-2-amine (CID 159149180) is 4-[4-chloro-6-(chloromethyl)pyrimidin-2-yl]morpholine;4-[4-chloro-6-[(3-fluorophenyl)sulfanylmethyl]pyrimidin-2-yl]morpholine;4-[4-chloro-6-[1-(3-fluorophenyl)sulfonylcyclopropyl]pyrimidin-2-yl]morpholine;4-[4-chloro-6-[(3-fluorophenyl)sulfonylmethyl]pyrimidin-2-yl]morpholine;5-[6-[1-(3-fluorophenyl)sulfonylcyclopropyl]-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)pyridin-2-amine.

What is the SMILES notation for 4-[4-chloro-6-(chloromethyl)pyrimidin-2-yl]morpholine;4-[4-chloro-6-[(3-fluorophenyl)sulfanylmethyl]pyrimidin-2-yl]morpholine;4-[4-chloro-6-[1-(3-fluorophenyl)sulfonylcyclopropyl]pyrimidin-2-yl]morpholine;4-[4-chloro-6-[(3-fluorophenyl)sulfonylmethyl]pyrimidin-2-yl]morpholine;5-[6-[1-(3-fluorophenyl)sulfonylcyclopropyl]-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)pyridin-2-amine?

The canonical SMILES for 4-[4-chloro-6-(chloromethyl)pyrimidin-2-yl]morpholine;4-[4-chloro-6-[(3-fluorophenyl)sulfanylmethyl]pyrimidin-2-yl]morpholine;4-[4-chloro-6-[1-(3-fluorophenyl)sulfonylcyclopropyl]pyrimidin-2-yl]morpholine;4-[4-chloro-6-[(3-fluorophenyl)sulfonylmethyl]pyrimidin-2-yl]morpholine;5-[6-[1-(3-fluorophenyl)sulfonylcyclopropyl]-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)pyridin-2-amine is CC1(C)OB(c2cnc(N)cc2C(F)(F)F)OC1(C)C.ClCc1cc(Cl)nc(N2CCOCC2)n1.Fc1cccc(SCc2cc(Cl)nc(N3CCOCC3)n2)c1.Nc1cc(C(F)(F)F)c(-c2cc(C3(S(=O)(=O)c4cccc(F)c4)CC3)nc(N3CCOCC3)n2)cn1.O=S(=O)(Cc1cc(Cl)nc(N2CCOCC2)n1)c1cccc(F)c1.O=S(=O)(c1cccc(F)c1)C1(c2cc(Cl)nc(N3CCOCC3)n2)CC1.

What is the InChIKey of 4-[4-chloro-6-(chloromethyl)pyrimidin-2-yl]morpholine;4-[4-chloro-6-[(3-fluorophenyl)sulfanylmethyl]pyrimidin-2-yl]morpholine;4-[4-chloro-6-[1-(3-fluorophenyl)sulfonylcyclopropyl]pyrimidin-2-yl]morpholine;4-[4-chloro-6-[(3-fluorophenyl)sulfonylmethyl]pyrimidin-2-yl]morpholine;5-[6-[1-(3-fluorophenyl)sulfonylcyclopropyl]-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)pyridin-2-amine?

The InChIKey is KJBGXLXNGBAVGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F4N5O3S.C17H17ClFN3O3S.C15H15ClFN3O3S.C15H15ClFN3OS.C12H16BF3N2O2.C9H11Cl2N3O/c24-14-2-1-3-15(10-14)36(33,34)22(4-5-22)19-12-18(30-21(31-19)32-6-8-35-9-7-32)16-13-29-20(28)11-17(16)23(25,26)27;18-15-11-14(20-16(21-15)22-6-8-25-9-7-22)17(4-5-17)26(23,24)13-3-1-2-12(19)10-13;16-14-9-12(18-15(19-14)20-4-6-23-7-5-20)10-24(21,22)13-3-1-2-11(17)8-13;16-14-9-12(10-22-13-3-1-2-11(17)8-13)18-15(19-14)20-4-6-21-7-5-20;1-10(2)11(3,4)20-13(19-10)8-6-18-9(17)5-7(8)12(14,15)16;10-6-7-5-8(11)13-9(12-7)14-1-3-15-4-2-14/h1-3,10-13H,4-9H2,(H2,28,29);1-3,10-11H,4-9H2;1-3,8-9H,4-7,10H2;1-3,8-9H,4-7,10H2;5-6H,1-4H3,(H2,17,18);5H,1-4,6H2.

What are the key properties of 4-[4-chloro-6-(chloromethyl)pyrimidin-2-yl]morpholine;4-[4-chloro-6-[(3-fluorophenyl)sulfanylmethyl]pyrimidin-2-yl]morpholine;4-[4-chloro-6-[1-(3-fluorophenyl)sulfonylcyclopropyl]pyrimidin-2-yl]morpholine;4-[4-chloro-6-[(3-fluorophenyl)sulfonylmethyl]pyrimidin-2-yl]morpholine;5-[6-[1-(3-fluorophenyl)sulfonylcyclopropyl]-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)pyridin-2-amine?

4-[4-chloro-6-(chloromethyl)pyrimidin-2-yl]morpholine;4-[4-chloro-6-[(3-fluorophenyl)sulfanylmethyl]pyrimidin-2-yl]morpholine;4-[4-chloro-6-[1-(3-fluorophenyl)sulfonylcyclopropyl]pyrimidin-2-yl]morpholine;4-[4-chloro-6-[(3-fluorophenyl)sulfonylmethyl]pyrimidin-2-yl]morpholine;5-[6-[1-(3-fluorophenyl)sulfonylcyclopropyl]-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)pyridin-2-amine has a molecular weight of 2169.21 g/mol, XLogP of 15.31, 20 rotatable bonds, 2 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-chloro-6-(chloromethyl)pyrimidin-2-yl]morpholine;4-[4-chloro-6-[(3-fluorophenyl)sulfanylmethyl]pyrimidin-2-yl]morpholine;4-[4-chloro-6-[1-(3-fluorophenyl)sulfonylcyclopropyl]pyrimidin-2-yl]morpholine;4-[4-chloro-6-[(3-fluorophenyl)sulfonylmethyl]pyrimidin-2-yl]morpholine;5-[6-[1-(3-fluorophenyl)sulfonylcyclopropyl]-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)pyridin-2-amine is sourced from PubChem (CID 159149180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).