4-(4,6-dichloropyrimidin-2-yl)morpholine;diethyl 2-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)propanedioate;ethyl 1-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]cyclopropane-1-carboxylate;ethyl 2-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)acetate;ethyl 1-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)cyclopropane-1-carboxylate;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)pyridin-2-amine;sulfide

C81H101BCl5F6N19O17S-2 — CID 158015458

About 4-(4,6-dichloropyrimidin-2-yl)morpholine;diethyl 2-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)propanedioate;ethyl 1-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]cyclopropane-1-carboxylate;ethyl 2-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)acetate;ethyl 1-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)cyclopropane-1-carboxylate;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)pyridin-2-amine;sulfide

4-(4,6-dichloropyrimidin-2-yl)morpholine;diethyl 2-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)propanedioate;ethyl 1-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]cyclopropane-1-carboxylate;ethyl 2-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)acetate;ethyl 1-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)cyclopropane-1-carboxylate;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)pyridin-2-amine;sulfide (PubChem CID 158015458) has the molecular formula C81H101BCl5F6N19O17S-2 and a molecular weight of 1946.95 g/mol. Its IUPAC name is 4-(4,6-dichloropyrimidin-2-yl)morpholine;diethyl 2-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)propanedioate;ethyl 1-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]cyclopropane-1-carboxylate;ethyl 2-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)acetate;ethyl 1-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)cyclopropane-1-carboxylate;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)pyridin-2-amine;sulfide.

Molecular Properties

• Compound Name: 4-(4,6-dichloropyrimidin-2-yl)morpholine;diethyl 2-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)propanedioate;ethyl 1-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]cyclopropane-1-carboxylate;ethyl 2-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)acetate;ethyl 1-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)cyclopropane-1-carboxylate;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)pyridin-2-amine;sulfide
• PubChem CID: 158015458
• Molecular Formula: C81H101BCl5F6N19O17S-2
• Molecular Weight: 1946.95 g/mol
• Exact Mass: 1943.58
• IUPAC Name: 4-(4,6-dichloropyrimidin-2-yl)morpholine;diethyl 2-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)propanedioate;ethyl 1-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]cyclopropane-1-carboxylate;ethyl 2-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)acetate;ethyl 1-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)cyclopropane-1-carboxylate;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)pyridin-2-amine;sulfide
• SMILES: CC1(C)OB(c2cnc(N)cc2C(F)(F)F)OC1(C)C.CCOC(=O)C(C(=O)OCC)c1cc(Cl)nc(N2CCOCC2)n1.CCOC(=O)C1(c2cc(-c3cnc(N)cc3C(F)(F)F)nc(N3CCOCC3)n2)CC1.CCOC(=O)C1(c2cc(Cl)nc(N3CCOCC3)n2)CC1.CCOC(=O)Cc1cc(Cl)nc(N2CCOCC2)n1.Clc1cc(Cl)nc(N2CCOCC2)n1.[S-2]
• InChI: InChI=1S/C20H22F3N5O3.C15H20ClN3O5.C14H18ClN3O3.C12H16BF3N2O2.C12H16ClN3O3.C8H9Cl2N3O.S/c1-2-31-17(29)19(3-4-19)15-10-14(26-18(27-15)28-5-7-30-8-6-28)12-11-25-16(24)9-13(12)20(21,22)23;1-3-23-13(20)12(14(21)24-4-2)10-9-11(16)18-15(17-10)19-5-7-22-8-6-19;1-2-21-12(19)14(3-4-14)10-9-11(15)17-13(16-10)18-5-7-20-8-6-18;1-10(2)11(3,4)20-13(19-10)8-6-18-9(17)5-7(8)12(14,15)16;1-2-19-11(17)8-9-7-10(13)15-12(14-9)16-3-5-18-6-4-16;9-6-5-7(10)12-8(11-6)13-1-3-14-4-2-13;/h9-11H,2-8H2,1H3,(H2,24,25);9,12H,3-8H2,1-2H3;9H,2-8H2,1H3;5-6H,1-4H3,(H2,17,18);7H,2-6,8H2,1H3;5H,1-4H2;/q;;;;;;-2
• InChIKey: FFKFVHVMOZYRAA-UHFFFAOYSA-N
• XLogP: 9.98
• TPSA: 419.03 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 36
• Rotatable Bonds: 21
• Heavy Atoms: 130
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1946.95
LogP ≤ 5	9.98
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-(4,6-dichloropyrimidin-2-yl)morpholine;diethyl 2-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)propanedioate;ethyl 1-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]cyclopropane-1-carboxylate;ethyl 2-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)acetate;ethyl 1-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)cyclopropane-1-carboxylate;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)pyridin-2-amine;sulfide?

The IUPAC name of 4-(4,6-dichloropyrimidin-2-yl)morpholine;diethyl 2-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)propanedioate;ethyl 1-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]cyclopropane-1-carboxylate;ethyl 2-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)acetate;ethyl 1-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)cyclopropane-1-carboxylate;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)pyridin-2-amine;sulfide (CID 158015458) is 4-(4,6-dichloropyrimidin-2-yl)morpholine;diethyl 2-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)propanedioate;ethyl 1-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]cyclopropane-1-carboxylate;ethyl 2-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)acetate;ethyl 1-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)cyclopropane-1-carboxylate;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)pyridin-2-amine;sulfide.

What is the SMILES notation for 4-(4,6-dichloropyrimidin-2-yl)morpholine;diethyl 2-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)propanedioate;ethyl 1-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]cyclopropane-1-carboxylate;ethyl 2-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)acetate;ethyl 1-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)cyclopropane-1-carboxylate;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)pyridin-2-amine;sulfide?

The canonical SMILES for 4-(4,6-dichloropyrimidin-2-yl)morpholine;diethyl 2-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)propanedioate;ethyl 1-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]cyclopropane-1-carboxylate;ethyl 2-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)acetate;ethyl 1-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)cyclopropane-1-carboxylate;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)pyridin-2-amine;sulfide is CC1(C)OB(c2cnc(N)cc2C(F)(F)F)OC1(C)C.CCOC(=O)C(C(=O)OCC)c1cc(Cl)nc(N2CCOCC2)n1.CCOC(=O)C1(c2cc(-c3cnc(N)cc3C(F)(F)F)nc(N3CCOCC3)n2)CC1.CCOC(=O)C1(c2cc(Cl)nc(N3CCOCC3)n2)CC1.CCOC(=O)Cc1cc(Cl)nc(N2CCOCC2)n1.Clc1cc(Cl)nc(N2CCOCC2)n1.[S-2].

What is the InChIKey of 4-(4,6-dichloropyrimidin-2-yl)morpholine;diethyl 2-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)propanedioate;ethyl 1-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]cyclopropane-1-carboxylate;ethyl 2-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)acetate;ethyl 1-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)cyclopropane-1-carboxylate;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)pyridin-2-amine;sulfide?

The InChIKey is FFKFVHVMOZYRAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3N5O3.C15H20ClN3O5.C14H18ClN3O3.C12H16BF3N2O2.C12H16ClN3O3.C8H9Cl2N3O.S/c1-2-31-17(29)19(3-4-19)15-10-14(26-18(27-15)28-5-7-30-8-6-28)12-11-25-16(24)9-13(12)20(21,22)23;1-3-23-13(20)12(14(21)24-4-2)10-9-11(16)18-15(17-10)19-5-7-22-8-6-19;1-2-21-12(19)14(3-4-14)10-9-11(15)17-13(16-10)18-5-7-20-8-6-18;1-10(2)11(3,4)20-13(19-10)8-6-18-9(17)5-7(8)12(14,15)16;1-2-19-11(17)8-9-7-10(13)15-12(14-9)16-3-5-18-6-4-16;9-6-5-7(10)12-8(11-6)13-1-3-14-4-2-13;/h9-11H,2-8H2,1H3,(H2,24,25);9,12H,3-8H2,1-2H3;9H,2-8H2,1H3;5-6H,1-4H3,(H2,17,18);7H,2-6,8H2,1H3;5H,1-4H2;/q;;;;;;-2.

What are the key properties of 4-(4,6-dichloropyrimidin-2-yl)morpholine;diethyl 2-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)propanedioate;ethyl 1-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]cyclopropane-1-carboxylate;ethyl 2-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)acetate;ethyl 1-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)cyclopropane-1-carboxylate;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)pyridin-2-amine;sulfide?

4-(4,6-dichloropyrimidin-2-yl)morpholine;diethyl 2-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)propanedioate;ethyl 1-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]cyclopropane-1-carboxylate;ethyl 2-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)acetate;ethyl 1-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)cyclopropane-1-carboxylate;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)pyridin-2-amine;sulfide has a molecular weight of 1946.95 g/mol, XLogP of 9.98, 21 rotatable bonds, 2 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(4,6-dichloropyrimidin-2-yl)morpholine;diethyl 2-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)propanedioate;ethyl 1-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]cyclopropane-1-carboxylate;ethyl 2-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)acetate;ethyl 1-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)cyclopropane-1-carboxylate;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)pyridin-2-amine;sulfide is sourced from PubChem (CID 158015458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).