4-[2-chloro-6-(chloromethyl)pyrimidin-4-yl]morpholine;4-[2-chloro-6-(1-methylsulfonylcyclopropyl)pyrimidin-4-yl]morpholine;4-[2-chloro-6-(methylsulfonylmethyl)pyrimidin-4-yl]morpholine;(2-chloro-6-morpholin-4-ylpyrimidin-4-yl)methanol;methane;methyl 2-chloro-6-morpholin-4-ylpyrimidine-4-carboxylate;methyl 4,6-dichloro-1,3,5-triazine-2-carboxylate;5-[4-(1-methylsulfonylcyclopropyl)-6-morpholin-4-ylpyrimidin-2-yl]-4-(trifluoromethyl)pyridin-2-amine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)pyridin-2-amine

C86H108BCl8F6N25O19S3 — CID 162239400

About 4-[2-chloro-6-(chloromethyl)pyrimidin-4-yl]morpholine;4-[2-chloro-6-(1-methylsulfonylcyclopropyl)pyrimidin-4-yl]morpholine;4-[2-chloro-6-(methylsulfonylmethyl)pyrimidin-4-yl]morpholine;(2-chloro-6-morpholin-4-ylpyrimidin-4-yl)methanol;methane;methyl 2-chloro-6-morpholin-4-ylpyrimidine-4-carboxylate;methyl 4,6-dichloro-1,3,5-triazine-2-carboxylate;5-[4-(1-methylsulfonylcyclopropyl)-6-morpholin-4-ylpyrimidin-2-yl]-4-(trifluoromethyl)pyridin-2-amine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)pyridin-2-amine

4-[2-chloro-6-(chloromethyl)pyrimidin-4-yl]morpholine;4-[2-chloro-6-(1-methylsulfonylcyclopropyl)pyrimidin-4-yl]morpholine;4-[2-chloro-6-(methylsulfonylmethyl)pyrimidin-4-yl]morpholine;(2-chloro-6-morpholin-4-ylpyrimidin-4-yl)methanol;methane;methyl 2-chloro-6-morpholin-4-ylpyrimidine-4-carboxylate;methyl 4,6-dichloro-1,3,5-triazine-2-carboxylate;5-[4-(1-methylsulfonylcyclopropyl)-6-morpholin-4-ylpyrimidin-2-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 162239400) has the molecular formula C86H108BCl8F6N25O19S3 and a molecular weight of 2300.59 g/mol. Its IUPAC name is 4-[2-chloro-6-(chloromethyl)pyrimidin-4-yl]morpholine;4-[2-chloro-6-(1-methylsulfonylcyclopropyl)pyrimidin-4-yl]morpholine;4-[2-chloro-6-(methylsulfonylmethyl)pyrimidin-4-yl]morpholine;(2-chloro-6-morpholin-4-ylpyrimidin-4-yl)methanol;methane;methyl 2-chloro-6-morpholin-4-ylpyrimidine-4-carboxylate;methyl 4,6-dichloro-1,3,5-triazine-2-carboxylate;5-[4-(1-methylsulfonylcyclopropyl)-6-morpholin-4-ylpyrimidin-2-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-[2-chloro-6-(chloromethyl)pyrimidin-4-yl]morpholine;4-[2-chloro-6-(1-methylsulfonylcyclopropyl)pyrimidin-4-yl]morpholine;4-[2-chloro-6-(methylsulfonylmethyl)pyrimidin-4-yl]morpholine;(2-chloro-6-morpholin-4-ylpyrimidin-4-yl)methanol;methane;methyl 2-chloro-6-morpholin-4-ylpyrimidine-4-carboxylate;methyl 4,6-dichloro-1,3,5-triazine-2-carboxylate;5-[4-(1-methylsulfonylcyclopropyl)-6-morpholin-4-ylpyrimidin-2-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: 162239400
• Molecular Formula: C86H108BCl8F6N25O19S3
• Molecular Weight: 2300.59 g/mol
• Exact Mass: 2295.49
• IUPAC Name: 4-[2-chloro-6-(chloromethyl)pyrimidin-4-yl]morpholine;4-[2-chloro-6-(1-methylsulfonylcyclopropyl)pyrimidin-4-yl]morpholine;4-[2-chloro-6-(methylsulfonylmethyl)pyrimidin-4-yl]morpholine;(2-chloro-6-morpholin-4-ylpyrimidin-4-yl)methanol;methane;methyl 2-chloro-6-morpholin-4-ylpyrimidine-4-carboxylate;methyl 4,6-dichloro-1,3,5-triazine-2-carboxylate;5-[4-(1-methylsulfonylcyclopropyl)-6-morpholin-4-ylpyrimidin-2-yl]-4-(trifluoromethyl)pyridin-2-amine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)pyridin-2-amine
• SMILES: C.CC1(C)OB(c2cnc(N)cc2C(F)(F)F)OC1(C)C.COC(=O)c1cc(N2CCOCC2)nc(Cl)n1.COC(=O)c1nc(Cl)nc(Cl)n1.CS(=O)(=O)C1(c2cc(N3CCOCC3)nc(-c3cnc(N)cc3C(F)(F)F)n2)CC1.CS(=O)(=O)C1(c2cc(N3CCOCC3)nc(Cl)n2)CC1.CS(=O)(=O)Cc1cc(N2CCOCC2)nc(Cl)n1.ClCc1cc(N2CCOCC2)nc(Cl)n1.OCc1cc(N2CCOCC2)nc(Cl)n1
• InChI: InChI=1S/C18H20F3N5O3S.C12H16BF3N2O2.C12H16ClN3O3S.C10H14ClN3O3S.C10H12ClN3O3.C9H11Cl2N3O.C9H12ClN3O2.C5H3Cl2N3O2.CH4/c1-30(27,28)17(2-3-17)13-9-15(26-4-6-29-7-5-26)25-16(24-13)11-10-23-14(22)8-12(11)18(19,20)21;1-10(2)11(3,4)20-13(19-10)8-6-18-9(17)5-7(8)12(14,15)16;1-20(17,18)12(2-3-12)9-8-10(15-11(13)14-9)16-4-6-19-7-5-16;1-18(15,16)7-8-6-9(13-10(11)12-8)14-2-4-17-5-3-14;1-16-9(15)7-6-8(13-10(11)12-7)14-2-4-17-5-3-14;10-6-7-5-8(13-9(11)12-7)14-1-3-15-4-2-14;10-9-11-7(6-14)5-8(12-9)13-1-3-15-4-2-13;1-12-3(11)2-8-4(6)10-5(7)9-2;/h8-10H,2-7H2,1H3,(H2,22,23);5-6H,1-4H3,(H2,17,18);8H,2-7H2,1H3;6H,2-5,7H2,1H3;6H,2-5H2,1H3;5H,1-4,6H2;5,14H,1-4,6H2;1H3;1H4
• InChIKey: ZWMPCFINERQSBO-UHFFFAOYSA-N
• XLogP: 10.02
• TPSA: 539.70 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 44
• Rotatable Bonds: 18
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2300.59
LogP ≤ 5	10.02
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	44

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-[2-chloro-6-(chloromethyl)pyrimidin-4-yl]morpholine;4-[2-chloro-6-(1-methylsulfonylcyclopropyl)pyrimidin-4-yl]morpholine;4-[2-chloro-6-(methylsulfonylmethyl)pyrimidin-4-yl]morpholine;(2-chloro-6-morpholin-4-ylpyrimidin-4-yl)methanol;methane;methyl 2-chloro-6-morpholin-4-ylpyrimidine-4-carboxylate;methyl 4,6-dichloro-1,3,5-triazine-2-carboxylate;5-[4-(1-methylsulfonylcyclopropyl)-6-morpholin-4-ylpyrimidin-2-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-[2-chloro-6-(chloromethyl)pyrimidin-4-yl]morpholine;4-[2-chloro-6-(1-methylsulfonylcyclopropyl)pyrimidin-4-yl]morpholine;4-[2-chloro-6-(methylsulfonylmethyl)pyrimidin-4-yl]morpholine;(2-chloro-6-morpholin-4-ylpyrimidin-4-yl)methanol;methane;methyl 2-chloro-6-morpholin-4-ylpyrimidine-4-carboxylate;methyl 4,6-dichloro-1,3,5-triazine-2-carboxylate;5-[4-(1-methylsulfonylcyclopropyl)-6-morpholin-4-ylpyrimidin-2-yl]-4-(trifluoromethyl)pyridin-2-amine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)pyridin-2-amine (CID 162239400) is 4-[2-chloro-6-(chloromethyl)pyrimidin-4-yl]morpholine;4-[2-chloro-6-(1-methylsulfonylcyclopropyl)pyrimidin-4-yl]morpholine;4-[2-chloro-6-(methylsulfonylmethyl)pyrimidin-4-yl]morpholine;(2-chloro-6-morpholin-4-ylpyrimidin-4-yl)methanol;methane;methyl 2-chloro-6-morpholin-4-ylpyrimidine-4-carboxylate;methyl 4,6-dichloro-1,3,5-triazine-2-carboxylate;5-[4-(1-methylsulfonylcyclopropyl)-6-morpholin-4-ylpyrimidin-2-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-[2-chloro-6-(chloromethyl)pyrimidin-4-yl]morpholine;4-[2-chloro-6-(1-methylsulfonylcyclopropyl)pyrimidin-4-yl]morpholine;4-[2-chloro-6-(methylsulfonylmethyl)pyrimidin-4-yl]morpholine;(2-chloro-6-morpholin-4-ylpyrimidin-4-yl)methanol;methane;methyl 2-chloro-6-morpholin-4-ylpyrimidine-4-carboxylate;methyl 4,6-dichloro-1,3,5-triazine-2-carboxylate;5-[4-(1-methylsulfonylcyclopropyl)-6-morpholin-4-ylpyrimidin-2-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-[2-chloro-6-(chloromethyl)pyrimidin-4-yl]morpholine;4-[2-chloro-6-(1-methylsulfonylcyclopropyl)pyrimidin-4-yl]morpholine;4-[2-chloro-6-(methylsulfonylmethyl)pyrimidin-4-yl]morpholine;(2-chloro-6-morpholin-4-ylpyrimidin-4-yl)methanol;methane;methyl 2-chloro-6-morpholin-4-ylpyrimidine-4-carboxylate;methyl 4,6-dichloro-1,3,5-triazine-2-carboxylate;5-[4-(1-methylsulfonylcyclopropyl)-6-morpholin-4-ylpyrimidin-2-yl]-4-(trifluoromethyl)pyridin-2-amine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)pyridin-2-amine is C.CC1(C)OB(c2cnc(N)cc2C(F)(F)F)OC1(C)C.COC(=O)c1cc(N2CCOCC2)nc(Cl)n1.COC(=O)c1nc(Cl)nc(Cl)n1.CS(=O)(=O)C1(c2cc(N3CCOCC3)nc(-c3cnc(N)cc3C(F)(F)F)n2)CC1.CS(=O)(=O)C1(c2cc(N3CCOCC3)nc(Cl)n2)CC1.CS(=O)(=O)Cc1cc(N2CCOCC2)nc(Cl)n1.ClCc1cc(N2CCOCC2)nc(Cl)n1.OCc1cc(N2CCOCC2)nc(Cl)n1.

What is the InChIKey of 4-[2-chloro-6-(chloromethyl)pyrimidin-4-yl]morpholine;4-[2-chloro-6-(1-methylsulfonylcyclopropyl)pyrimidin-4-yl]morpholine;4-[2-chloro-6-(methylsulfonylmethyl)pyrimidin-4-yl]morpholine;(2-chloro-6-morpholin-4-ylpyrimidin-4-yl)methanol;methane;methyl 2-chloro-6-morpholin-4-ylpyrimidine-4-carboxylate;methyl 4,6-dichloro-1,3,5-triazine-2-carboxylate;5-[4-(1-methylsulfonylcyclopropyl)-6-morpholin-4-ylpyrimidin-2-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 ZWMPCFINERQSBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3N5O3S.C12H16BF3N2O2.C12H16ClN3O3S.C10H14ClN3O3S.C10H12ClN3O3.C9H11Cl2N3O.C9H12ClN3O2.C5H3Cl2N3O2.CH4/c1-30(27,28)17(2-3-17)13-9-15(26-4-6-29-7-5-26)25-16(24-13)11-10-23-14(22)8-12(11)18(19,20)21;1-10(2)11(3,4)20-13(19-10)8-6-18-9(17)5-7(8)12(14,15)16;1-20(17,18)12(2-3-12)9-8-10(15-11(13)14-9)16-4-6-19-7-5-16;1-18(15,16)7-8-6-9(13-10(11)12-8)14-2-4-17-5-3-14;1-16-9(15)7-6-8(13-10(11)12-7)14-2-4-17-5-3-14;10-6-7-5-8(13-9(11)12-7)14-1-3-15-4-2-14;10-9-11-7(6-14)5-8(12-9)13-1-3-15-4-2-13;1-12-3(11)2-8-4(6)10-5(7)9-2;/h8-10H,2-7H2,1H3,(H2,22,23);5-6H,1-4H3,(H2,17,18);8H,2-7H2,1H3;6H,2-5,7H2,1H3;6H,2-5H2,1H3;5H,1-4,6H2;5,14H,1-4,6H2;1H3;1H4.

What are the key properties of 4-[2-chloro-6-(chloromethyl)pyrimidin-4-yl]morpholine;4-[2-chloro-6-(1-methylsulfonylcyclopropyl)pyrimidin-4-yl]morpholine;4-[2-chloro-6-(methylsulfonylmethyl)pyrimidin-4-yl]morpholine;(2-chloro-6-morpholin-4-ylpyrimidin-4-yl)methanol;methane;methyl 2-chloro-6-morpholin-4-ylpyrimidine-4-carboxylate;methyl 4,6-dichloro-1,3,5-triazine-2-carboxylate;5-[4-(1-methylsulfonylcyclopropyl)-6-morpholin-4-ylpyrimidin-2-yl]-4-(trifluoromethyl)pyridin-2-amine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)pyridin-2-amine?

4-[2-chloro-6-(chloromethyl)pyrimidin-4-yl]morpholine;4-[2-chloro-6-(1-methylsulfonylcyclopropyl)pyrimidin-4-yl]morpholine;4-[2-chloro-6-(methylsulfonylmethyl)pyrimidin-4-yl]morpholine;(2-chloro-6-morpholin-4-ylpyrimidin-4-yl)methanol;methane;methyl 2-chloro-6-morpholin-4-ylpyrimidine-4-carboxylate;methyl 4,6-dichloro-1,3,5-triazine-2-carboxylate;5-[4-(1-methylsulfonylcyclopropyl)-6-morpholin-4-ylpyrimidin-2-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 2300.59 g/mol, XLogP of 10.02, 18 rotatable bonds, 3 hydrogen bond donors, and 44 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-chloro-6-(chloromethyl)pyrimidin-4-yl]morpholine;4-[2-chloro-6-(1-methylsulfonylcyclopropyl)pyrimidin-4-yl]morpholine;4-[2-chloro-6-(methylsulfonylmethyl)pyrimidin-4-yl]morpholine;(2-chloro-6-morpholin-4-ylpyrimidin-4-yl)methanol;methane;methyl 2-chloro-6-morpholin-4-ylpyrimidine-4-carboxylate;methyl 4,6-dichloro-1,3,5-triazine-2-carboxylate;5-[4-(1-methylsulfonylcyclopropyl)-6-morpholin-4-ylpyrimidin-2-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 162239400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).