5-bromo-4-(trifluoromethyl)pyridin-2-amine;4-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)morpholine;5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine;morpholine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;2,4,6-trichloropyrimidine

C56H76B2BrCl4F6N15O9 — CID 158541488

About 5-bromo-4-(trifluoromethyl)pyridin-2-amine;4-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)morpholine;5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine;morpholine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;2,4,6-trichloropyrimidine

5-bromo-4-(trifluoromethyl)pyridin-2-amine;4-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)morpholine;5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine;morpholine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;2,4,6-trichloropyrimidine (PubChem CID 158541488) has the molecular formula C56H76B2BrCl4F6N15O9 and a molecular weight of 1460.65 g/mol. Its IUPAC name is 5-bromo-4-(trifluoromethyl)pyridin-2-amine;4-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)morpholine;5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine;morpholine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;2,4,6-trichloropyrimidine.

Molecular Properties

• Compound Name: 5-bromo-4-(trifluoromethyl)pyridin-2-amine;4-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)morpholine;5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine;morpholine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;2,4,6-trichloropyrimidine
• PubChem CID: 158541488
• Molecular Formula: C56H76B2BrCl4F6N15O9
• Molecular Weight: 1460.65 g/mol
• Exact Mass: 1457.40
• IUPAC Name: 5-bromo-4-(trifluoromethyl)pyridin-2-amine;4-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)morpholine;5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine;morpholine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;2,4,6-trichloropyrimidine
• SMILES: C1COCCN1.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.Clc1cc(Cl)nc(Cl)n1.Clc1cc(N2CCOCC2)nc(N2CCOCC2)n1.Nc1cc(C(F)(F)F)c(-c2cc(N3CCOCC3)nc(N3CCOCC3)n2)cn1.Nc1cc(C(F)(F)F)c(Br)cn1
• InChI: InChI=1S/C18H21F3N6O2.C12H24B2O4.C12H17ClN4O2.C6H4BrF3N2.C4HCl3N2.C4H9NO/c19-18(20,21)13-9-15(22)23-11-12(13)14-10-16(26-1-5-28-6-2-26)25-17(24-14)27-3-7-29-8-4-27;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;13-10-9-11(16-1-5-18-6-2-16)15-12(14-10)17-3-7-19-8-4-17;7-4-2-12-5(11)1-3(4)6(8,9)10;5-2-1-3(6)9-4(7)8-2;1-3-6-4-2-5-1/h9-11H,1-8H2,(H2,22,23);1-8H3;9H,1-8H2;1-2H,(H2,11,12);1H;5H,1-4H2
• InChIKey: HOONYBBFEWXJOO-UHFFFAOYSA-N
• XLogP: 9.35
• TPSA: 263.22 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 24
• Rotatable Bonds: 6
• Heavy Atoms: 93
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1460.65
LogP ≤ 5	9.35
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(trifluoromethyl)pyridin-2-amine;4-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)morpholine;5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine;morpholine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;2,4,6-trichloropyrimidine?

The IUPAC name of 5-bromo-4-(trifluoromethyl)pyridin-2-amine;4-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)morpholine;5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine;morpholine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;2,4,6-trichloropyrimidine (CID 158541488) is 5-bromo-4-(trifluoromethyl)pyridin-2-amine;4-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)morpholine;5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine;morpholine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;2,4,6-trichloropyrimidine.

What is the SMILES notation for 5-bromo-4-(trifluoromethyl)pyridin-2-amine;4-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)morpholine;5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine;morpholine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;2,4,6-trichloropyrimidine?

The canonical SMILES for 5-bromo-4-(trifluoromethyl)pyridin-2-amine;4-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)morpholine;5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine;morpholine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;2,4,6-trichloropyrimidine is C1COCCN1.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.Clc1cc(Cl)nc(Cl)n1.Clc1cc(N2CCOCC2)nc(N2CCOCC2)n1.Nc1cc(C(F)(F)F)c(-c2cc(N3CCOCC3)nc(N3CCOCC3)n2)cn1.Nc1cc(C(F)(F)F)c(Br)cn1.

What is the InChIKey of 5-bromo-4-(trifluoromethyl)pyridin-2-amine;4-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)morpholine;5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine;morpholine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;2,4,6-trichloropyrimidine?

The InChIKey is HOONYBBFEWXJOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F3N6O2.C12H24B2O4.C12H17ClN4O2.C6H4BrF3N2.C4HCl3N2.C4H9NO/c19-18(20,21)13-9-15(22)23-11-12(13)14-10-16(26-1-5-28-6-2-26)25-17(24-14)27-3-7-29-8-4-27;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;13-10-9-11(16-1-5-18-6-2-16)15-12(14-10)17-3-7-19-8-4-17;7-4-2-12-5(11)1-3(4)6(8,9)10;5-2-1-3(6)9-4(7)8-2;1-3-6-4-2-5-1/h9-11H,1-8H2,(H2,22,23);1-8H3;9H,1-8H2;1-2H,(H2,11,12);1H;5H,1-4H2.

What are the key properties of 5-bromo-4-(trifluoromethyl)pyridin-2-amine;4-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)morpholine;5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine;morpholine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;2,4,6-trichloropyrimidine?

5-bromo-4-(trifluoromethyl)pyridin-2-amine;4-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)morpholine;5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine;morpholine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;2,4,6-trichloropyrimidine has a molecular weight of 1460.65 g/mol, XLogP of 9.35, 6 rotatable bonds, 3 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-4-(trifluoromethyl)pyridin-2-amine;4-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)morpholine;5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine;morpholine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;2,4,6-trichloropyrimidine is sourced from PubChem (CID 158541488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).