4-[4-chloro-6-(1-methylsulfonylcyclopropyl)pyrimidin-2-yl]morpholine;4-[4-chloro-6-(methylsulfonylmethyl)pyrimidin-2-yl]morpholine;4-(4,6-dichloropyrimidin-2-yl)morpholine;methyl 2-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)-2-methylsulfonylacetate;5-[6-(1-methylsulfonylcyclopropyl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;sulfanide;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)pyridin-2-amine;2,4,6-trichloropyrimidine

C76H93BCl8F6N21O17S5- — CID 158438703

About 4-[4-chloro-6-(1-methylsulfonylcyclopropyl)pyrimidin-2-yl]morpholine;4-[4-chloro-6-(methylsulfonylmethyl)pyrimidin-2-yl]morpholine;4-(4,6-dichloropyrimidin-2-yl)morpholine;methyl 2-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)-2-methylsulfonylacetate;5-[6-(1-methylsulfonylcyclopropyl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;sulfanide;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)pyridin-2-amine;2,4,6-trichloropyrimidine

4-[4-chloro-6-(1-methylsulfonylcyclopropyl)pyrimidin-2-yl]morpholine;4-[4-chloro-6-(methylsulfonylmethyl)pyrimidin-2-yl]morpholine;4-(4,6-dichloropyrimidin-2-yl)morpholine;methyl 2-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)-2-methylsulfonylacetate;5-[6-(1-methylsulfonylcyclopropyl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;sulfanide;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)pyridin-2-amine;2,4,6-trichloropyrimidine (PubChem CID 158438703) has the molecular formula C76H93BCl8F6N21O17S5- and a molecular weight of 2141.47 g/mol. Its IUPAC name is 4-[4-chloro-6-(1-methylsulfonylcyclopropyl)pyrimidin-2-yl]morpholine;4-[4-chloro-6-(methylsulfonylmethyl)pyrimidin-2-yl]morpholine;4-(4,6-dichloropyrimidin-2-yl)morpholine;methyl 2-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)-2-methylsulfonylacetate;5-[6-(1-methylsulfonylcyclopropyl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;sulfanide;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)pyridin-2-amine;2,4,6-trichloropyrimidine.

Molecular Properties

• Compound Name: 4-[4-chloro-6-(1-methylsulfonylcyclopropyl)pyrimidin-2-yl]morpholine;4-[4-chloro-6-(methylsulfonylmethyl)pyrimidin-2-yl]morpholine;4-(4,6-dichloropyrimidin-2-yl)morpholine;methyl 2-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)-2-methylsulfonylacetate;5-[6-(1-methylsulfonylcyclopropyl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;sulfanide;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)pyridin-2-amine;2,4,6-trichloropyrimidine
• PubChem CID: 158438703
• Molecular Formula: C76H93BCl8F6N21O17S5-
• Molecular Weight: 2141.47 g/mol
• Exact Mass: 2136.32
• IUPAC Name: 4-[4-chloro-6-(1-methylsulfonylcyclopropyl)pyrimidin-2-yl]morpholine;4-[4-chloro-6-(methylsulfonylmethyl)pyrimidin-2-yl]morpholine;4-(4,6-dichloropyrimidin-2-yl)morpholine;methyl 2-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)-2-methylsulfonylacetate;5-[6-(1-methylsulfonylcyclopropyl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;sulfanide;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)pyridin-2-amine;2,4,6-trichloropyrimidine
• SMILES: CC1(C)OB(c2cnc(N)cc2C(F)(F)F)OC1(C)C.COC(=O)C(c1cc(Cl)nc(N2CCOCC2)n1)S(C)(=O)=O.CS(=O)(=O)C1(c2cc(-c3cnc(N)cc3C(F)(F)F)nc(N3CCOCC3)n2)CC1.CS(=O)(=O)C1(c2cc(Cl)nc(N3CCOCC3)n2)CC1.CS(=O)(=O)Cc1cc(Cl)nc(N2CCOCC2)n1.Clc1cc(Cl)nc(Cl)n1.Clc1cc(Cl)nc(N2CCOCC2)n1.[SH-]
• InChI: InChI=1S/C18H20F3N5O3S.C12H16BF3N2O2.C12H16ClN3O5S.C12H16ClN3O3S.C10H14ClN3O3S.C8H9Cl2N3O.C4HCl3N2.H2S/c1-30(27,28)17(2-3-17)14-9-13(24-16(25-14)26-4-6-29-7-5-26)11-10-23-15(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;1-20-11(17)10(22(2,18)19)8-7-9(13)15-12(14-8)16-3-5-21-6-4-16;1-20(17,18)12(2-3-12)9-8-10(13)15-11(14-9)16-4-6-19-7-5-16;1-18(15,16)7-8-6-9(11)13-10(12-8)14-2-4-17-5-3-14;9-6-5-7(10)12-8(11-6)13-1-3-14-4-2-13;5-2-1-3(6)9-4(7)8-2;/h8-10H,2-7H2,1H3,(H2,22,23);5-6H,1-4H3,(H2,17,18);7,10H,3-6H2,1-2H3;8H,2-7H2,1H3;6H,2-5,7H2,1H3;5H,1-4H2;1H;1H2/p-1
• InChIKey: HCNWQJOPBBAPTB-UHFFFAOYSA-M
• XLogP: 9.52
• TPSA: 476.17 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 39
• Rotatable Bonds: 16
• Heavy Atoms: 134
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2141.47
LogP ≤ 5	9.52
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	39

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[4-chloro-6-(1-methylsulfonylcyclopropyl)pyrimidin-2-yl]morpholine;4-[4-chloro-6-(methylsulfonylmethyl)pyrimidin-2-yl]morpholine;4-(4,6-dichloropyrimidin-2-yl)morpholine;methyl 2-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)-2-methylsulfonylacetate;5-[6-(1-methylsulfonylcyclopropyl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;sulfanide;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)pyridin-2-amine;2,4,6-trichloropyrimidine?

The IUPAC name of 4-[4-chloro-6-(1-methylsulfonylcyclopropyl)pyrimidin-2-yl]morpholine;4-[4-chloro-6-(methylsulfonylmethyl)pyrimidin-2-yl]morpholine;4-(4,6-dichloropyrimidin-2-yl)morpholine;methyl 2-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)-2-methylsulfonylacetate;5-[6-(1-methylsulfonylcyclopropyl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;sulfanide;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)pyridin-2-amine;2,4,6-trichloropyrimidine (CID 158438703) is 4-[4-chloro-6-(1-methylsulfonylcyclopropyl)pyrimidin-2-yl]morpholine;4-[4-chloro-6-(methylsulfonylmethyl)pyrimidin-2-yl]morpholine;4-(4,6-dichloropyrimidin-2-yl)morpholine;methyl 2-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)-2-methylsulfonylacetate;5-[6-(1-methylsulfonylcyclopropyl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;sulfanide;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)pyridin-2-amine;2,4,6-trichloropyrimidine.

What is the SMILES notation for 4-[4-chloro-6-(1-methylsulfonylcyclopropyl)pyrimidin-2-yl]morpholine;4-[4-chloro-6-(methylsulfonylmethyl)pyrimidin-2-yl]morpholine;4-(4,6-dichloropyrimidin-2-yl)morpholine;methyl 2-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)-2-methylsulfonylacetate;5-[6-(1-methylsulfonylcyclopropyl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;sulfanide;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)pyridin-2-amine;2,4,6-trichloropyrimidine?

The canonical SMILES for 4-[4-chloro-6-(1-methylsulfonylcyclopropyl)pyrimidin-2-yl]morpholine;4-[4-chloro-6-(methylsulfonylmethyl)pyrimidin-2-yl]morpholine;4-(4,6-dichloropyrimidin-2-yl)morpholine;methyl 2-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)-2-methylsulfonylacetate;5-[6-(1-methylsulfonylcyclopropyl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;sulfanide;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)pyridin-2-amine;2,4,6-trichloropyrimidine is CC1(C)OB(c2cnc(N)cc2C(F)(F)F)OC1(C)C.COC(=O)C(c1cc(Cl)nc(N2CCOCC2)n1)S(C)(=O)=O.CS(=O)(=O)C1(c2cc(-c3cnc(N)cc3C(F)(F)F)nc(N3CCOCC3)n2)CC1.CS(=O)(=O)C1(c2cc(Cl)nc(N3CCOCC3)n2)CC1.CS(=O)(=O)Cc1cc(Cl)nc(N2CCOCC2)n1.Clc1cc(Cl)nc(Cl)n1.Clc1cc(Cl)nc(N2CCOCC2)n1.[SH-].

What is the InChIKey of 4-[4-chloro-6-(1-methylsulfonylcyclopropyl)pyrimidin-2-yl]morpholine;4-[4-chloro-6-(methylsulfonylmethyl)pyrimidin-2-yl]morpholine;4-(4,6-dichloropyrimidin-2-yl)morpholine;methyl 2-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)-2-methylsulfonylacetate;5-[6-(1-methylsulfonylcyclopropyl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;sulfanide;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)pyridin-2-amine;2,4,6-trichloropyrimidine?

The InChIKey is HCNWQJOPBBAPTB-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H20F3N5O3S.C12H16BF3N2O2.C12H16ClN3O5S.C12H16ClN3O3S.C10H14ClN3O3S.C8H9Cl2N3O.C4HCl3N2.H2S/c1-30(27,28)17(2-3-17)14-9-13(24-16(25-14)26-4-6-29-7-5-26)11-10-23-15(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;1-20-11(17)10(22(2,18)19)8-7-9(13)15-12(14-8)16-3-5-21-6-4-16;1-20(17,18)12(2-3-12)9-8-10(13)15-11(14-9)16-4-6-19-7-5-16;1-18(15,16)7-8-6-9(11)13-10(12-8)14-2-4-17-5-3-14;9-6-5-7(10)12-8(11-6)13-1-3-14-4-2-13;5-2-1-3(6)9-4(7)8-2;/h8-10H,2-7H2,1H3,(H2,22,23);5-6H,1-4H3,(H2,17,18);7,10H,3-6H2,1-2H3;8H,2-7H2,1H3;6H,2-5,7H2,1H3;5H,1-4H2;1H;1H2/p-1.

What are the key properties of 4-[4-chloro-6-(1-methylsulfonylcyclopropyl)pyrimidin-2-yl]morpholine;4-[4-chloro-6-(methylsulfonylmethyl)pyrimidin-2-yl]morpholine;4-(4,6-dichloropyrimidin-2-yl)morpholine;methyl 2-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)-2-methylsulfonylacetate;5-[6-(1-methylsulfonylcyclopropyl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;sulfanide;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)pyridin-2-amine;2,4,6-trichloropyrimidine?

4-[4-chloro-6-(1-methylsulfonylcyclopropyl)pyrimidin-2-yl]morpholine;4-[4-chloro-6-(methylsulfonylmethyl)pyrimidin-2-yl]morpholine;4-(4,6-dichloropyrimidin-2-yl)morpholine;methyl 2-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)-2-methylsulfonylacetate;5-[6-(1-methylsulfonylcyclopropyl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;sulfanide;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)pyridin-2-amine;2,4,6-trichloropyrimidine has a molecular weight of 2141.47 g/mol, XLogP of 9.52, 16 rotatable bonds, 2 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-chloro-6-(1-methylsulfonylcyclopropyl)pyrimidin-2-yl]morpholine;4-[4-chloro-6-(methylsulfonylmethyl)pyrimidin-2-yl]morpholine;4-(4,6-dichloropyrimidin-2-yl)morpholine;methyl 2-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)-2-methylsulfonylacetate;5-[6-(1-methylsulfonylcyclopropyl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;sulfanide;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)pyridin-2-amine;2,4,6-trichloropyrimidine is sourced from PubChem (CID 158438703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).