5-bromo-4-(trifluoromethyl)pyridin-2-amine;5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine;methane;4-[2-morpholin-4-yl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-4-yl]morpholine

C43H58BBrF6N12O6 — CID 158826791

About 5-bromo-4-(trifluoromethyl)pyridin-2-amine;5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine;methane;4-[2-morpholin-4-yl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-4-yl]morpholine

5-bromo-4-(trifluoromethyl)pyridin-2-amine;5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine;methane;4-[2-morpholin-4-yl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-4-yl]morpholine (PubChem CID 158826791) has the molecular formula C43H58BBrF6N12O6 and a molecular weight of 1043.72 g/mol. Its IUPAC name is 5-bromo-4-(trifluoromethyl)pyridin-2-amine;5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine;methane;4-[2-morpholin-4-yl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-4-yl]morpholine.

Molecular Properties

• Compound Name: 5-bromo-4-(trifluoromethyl)pyridin-2-amine;5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine;methane;4-[2-morpholin-4-yl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-4-yl]morpholine
• PubChem CID: 158826791
• Molecular Formula: C43H58BBrF6N12O6
• Molecular Weight: 1043.72 g/mol
• Exact Mass: 1042.38
• IUPAC Name: 5-bromo-4-(trifluoromethyl)pyridin-2-amine;5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine;methane;4-[2-morpholin-4-yl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-4-yl]morpholine
• SMILES: C.CC1(C)OB(c2cc(N3CCOCC3)nc(N3CCOCC3)n2)OC1(C)C.Nc1cc(C(F)(F)F)c(-c2cc(N3CCOCC3)nc(N3CCOCC3)n2)cn1.Nc1cc(C(F)(F)F)c(Br)cn1
• InChI: InChI=1S/C18H29BN4O4.C18H21F3N6O2.C6H4BrF3N2.CH4/c1-17(2)18(3,4)27-19(26-17)14-13-15(22-5-9-24-10-6-22)21-16(20-14)23-7-11-25-12-8-23;19-18(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;7-4-2-12-5(11)1-3(4)6(8,9)10;/h13H,5-12H2,1-4H3;9-11H,1-8H2,(H2,22,23);1-2H,(H2,11,12);1H4
• InChIKey: IWOBFKMWVMWVNN-UHFFFAOYSA-N
• XLogP: 5.34
• TPSA: 197.72 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 18
• Rotatable Bonds: 6
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1043.72
LogP ≤ 5	5.34
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	18

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;5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine;methane;4-[2-morpholin-4-yl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-4-yl]morpholine?

The IUPAC name of 5-bromo-4-(trifluoromethyl)pyridin-2-amine;5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine;methane;4-[2-morpholin-4-yl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-4-yl]morpholine (CID 158826791) is 5-bromo-4-(trifluoromethyl)pyridin-2-amine;5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine;methane;4-[2-morpholin-4-yl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-4-yl]morpholine.

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

The canonical SMILES for 5-bromo-4-(trifluoromethyl)pyridin-2-amine;5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine;methane;4-[2-morpholin-4-yl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-4-yl]morpholine is C.CC1(C)OB(c2cc(N3CCOCC3)nc(N3CCOCC3)n2)OC1(C)C.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;5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine;methane;4-[2-morpholin-4-yl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-4-yl]morpholine?

The InChIKey is IWOBFKMWVMWVNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29BN4O4.C18H21F3N6O2.C6H4BrF3N2.CH4/c1-17(2)18(3,4)27-19(26-17)14-13-15(22-5-9-24-10-6-22)21-16(20-14)23-7-11-25-12-8-23;19-18(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;7-4-2-12-5(11)1-3(4)6(8,9)10;/h13H,5-12H2,1-4H3;9-11H,1-8H2,(H2,22,23);1-2H,(H2,11,12);1H4.

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

5-bromo-4-(trifluoromethyl)pyridin-2-amine;5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine;methane;4-[2-morpholin-4-yl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-4-yl]morpholine has a molecular weight of 1043.72 g/mol, XLogP of 5.34, 6 rotatable bonds, 2 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-4-(trifluoromethyl)pyridin-2-amine;5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine;methane;4-[2-morpholin-4-yl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-4-yl]morpholine is sourced from PubChem (CID 158826791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).