8-bromo-2-[(2,6-difluorophenyl)methyl]-7-(4-fluorophenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;4-bromo-2,5-dimethylpyridine;2-[(2,6-difluorophenyl)methyl]-8-(2,5-dimethyl-4-pyridinyl)-7-(4-fluorophenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;2,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;methane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

C77H90B3Br2F6N13O6 — CID 158623886

About 8-bromo-2-[(2,6-difluorophenyl)methyl]-7-(4-fluorophenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;4-bromo-2,5-dimethylpyridine;2-[(2,6-difluorophenyl)methyl]-8-(2,5-dimethyl-4-pyridinyl)-7-(4-fluorophenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;2,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;methane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

8-bromo-2-[(2,6-difluorophenyl)methyl]-7-(4-fluorophenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;4-bromo-2,5-dimethylpyridine;2-[(2,6-difluorophenyl)methyl]-8-(2,5-dimethyl-4-pyridinyl)-7-(4-fluorophenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;2,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;methane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (PubChem CID 158623886) has the molecular formula C77H90B3Br2F6N13O6 and a molecular weight of 1599.88 g/mol. Its IUPAC name is 8-bromo-2-[(2,6-difluorophenyl)methyl]-7-(4-fluorophenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;4-bromo-2,5-dimethylpyridine;2-[(2,6-difluorophenyl)methyl]-8-(2,5-dimethyl-4-pyridinyl)-7-(4-fluorophenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;2,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;methane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane.

Molecular Properties

• Compound Name: 8-bromo-2-[(2,6-difluorophenyl)methyl]-7-(4-fluorophenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;4-bromo-2,5-dimethylpyridine;2-[(2,6-difluorophenyl)methyl]-8-(2,5-dimethyl-4-pyridinyl)-7-(4-fluorophenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;2,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;methane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
• PubChem CID: 158623886
• Molecular Formula: C77H90B3Br2F6N13O6
• Molecular Weight: 1599.88 g/mol
• Exact Mass: 1597.57
• IUPAC Name: 8-bromo-2-[(2,6-difluorophenyl)methyl]-7-(4-fluorophenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;4-bromo-2,5-dimethylpyridine;2-[(2,6-difluorophenyl)methyl]-8-(2,5-dimethyl-4-pyridinyl)-7-(4-fluorophenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;2,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;methane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
• SMILES: C.C.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.Cc1cc(-c2c(-c3ccc(F)cc3)nc(N)n3nc(Cc4c(F)cccc4F)nc23)c(C)cn1.Cc1cc(B2OC(C)(C)C(C)(C)O2)c(C)cn1.Cc1cc(Br)c(C)cn1.Nc1nc(-c2ccc(F)cc2)c(Br)c2nc(Cc3c(F)cccc3F)nn12
• InChI: InChI=1S/C25H19F3N6.C18H11BrF3N5.C13H20BNO2.C12H24B2O4.C7H8BrN.2CH4/c1-13-12-30-14(2)10-17(13)22-23(15-6-8-16(26)9-7-15)32-25(29)34-24(22)31-21(33-34)11-18-19(27)4-3-5-20(18)28;19-15-16(9-4-6-10(20)7-5-9)25-18(23)27-17(15)24-14(26-27)8-11-12(21)2-1-3-13(11)22;1-9-8-15-10(2)7-11(9)14-16-12(3,4)13(5,6)17-14;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;1-5-4-9-6(2)3-7(5)8;;/h3-10,12H,11H2,1-2H3,(H2,29,32);1-7H,8H2,(H2,23,25);7-8H,1-6H3;1-8H3;3-4H,1-2H3;2*1H4
• InChIKey: HYINPILBNSZZNE-UHFFFAOYSA-N
• XLogP: 17.18
• TPSA: 232.25 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 19
• Rotatable Bonds: 9
• Heavy Atoms: 107
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1599.88
LogP ≤ 5	17.18
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 8-bromo-2-[(2,6-difluorophenyl)methyl]-7-(4-fluorophenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;4-bromo-2,5-dimethylpyridine;2-[(2,6-difluorophenyl)methyl]-8-(2,5-dimethyl-4-pyridinyl)-7-(4-fluorophenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;2,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;methane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

The IUPAC name of 8-bromo-2-[(2,6-difluorophenyl)methyl]-7-(4-fluorophenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;4-bromo-2,5-dimethylpyridine;2-[(2,6-difluorophenyl)methyl]-8-(2,5-dimethyl-4-pyridinyl)-7-(4-fluorophenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;2,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;methane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (CID 158623886) is 8-bromo-2-[(2,6-difluorophenyl)methyl]-7-(4-fluorophenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;4-bromo-2,5-dimethylpyridine;2-[(2,6-difluorophenyl)methyl]-8-(2,5-dimethyl-4-pyridinyl)-7-(4-fluorophenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;2,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;methane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane.

What is the SMILES notation for 8-bromo-2-[(2,6-difluorophenyl)methyl]-7-(4-fluorophenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;4-bromo-2,5-dimethylpyridine;2-[(2,6-difluorophenyl)methyl]-8-(2,5-dimethyl-4-pyridinyl)-7-(4-fluorophenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;2,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;methane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

The canonical SMILES for 8-bromo-2-[(2,6-difluorophenyl)methyl]-7-(4-fluorophenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;4-bromo-2,5-dimethylpyridine;2-[(2,6-difluorophenyl)methyl]-8-(2,5-dimethyl-4-pyridinyl)-7-(4-fluorophenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;2,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;methane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is C.C.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.Cc1cc(-c2c(-c3ccc(F)cc3)nc(N)n3nc(Cc4c(F)cccc4F)nc23)c(C)cn1.Cc1cc(B2OC(C)(C)C(C)(C)O2)c(C)cn1.Cc1cc(Br)c(C)cn1.Nc1nc(-c2ccc(F)cc2)c(Br)c2nc(Cc3c(F)cccc3F)nn12.

What is the InChIKey of 8-bromo-2-[(2,6-difluorophenyl)methyl]-7-(4-fluorophenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;4-bromo-2,5-dimethylpyridine;2-[(2,6-difluorophenyl)methyl]-8-(2,5-dimethyl-4-pyridinyl)-7-(4-fluorophenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;2,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;methane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

The InChIKey is HYINPILBNSZZNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19F3N6.C18H11BrF3N5.C13H20BNO2.C12H24B2O4.C7H8BrN.2CH4/c1-13-12-30-14(2)10-17(13)22-23(15-6-8-16(26)9-7-15)32-25(29)34-24(22)31-21(33-34)11-18-19(27)4-3-5-20(18)28;19-15-16(9-4-6-10(20)7-5-9)25-18(23)27-17(15)24-14(26-27)8-11-12(21)2-1-3-13(11)22;1-9-8-15-10(2)7-11(9)14-16-12(3,4)13(5,6)17-14;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;1-5-4-9-6(2)3-7(5)8;;/h3-10,12H,11H2,1-2H3,(H2,29,32);1-7H,8H2,(H2,23,25);7-8H,1-6H3;1-8H3;3-4H,1-2H3;2*1H4.

What are the key properties of 8-bromo-2-[(2,6-difluorophenyl)methyl]-7-(4-fluorophenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;4-bromo-2,5-dimethylpyridine;2-[(2,6-difluorophenyl)methyl]-8-(2,5-dimethyl-4-pyridinyl)-7-(4-fluorophenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;2,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;methane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

8-bromo-2-[(2,6-difluorophenyl)methyl]-7-(4-fluorophenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;4-bromo-2,5-dimethylpyridine;2-[(2,6-difluorophenyl)methyl]-8-(2,5-dimethyl-4-pyridinyl)-7-(4-fluorophenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;2,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;methane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane has a molecular weight of 1599.88 g/mol, XLogP of 17.18, 9 rotatable bonds, 2 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 8-bromo-2-[(2,6-difluorophenyl)methyl]-7-(4-fluorophenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;4-bromo-2,5-dimethylpyridine;2-[(2,6-difluorophenyl)methyl]-8-(2,5-dimethyl-4-pyridinyl)-7-(4-fluorophenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;2,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;methane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is sourced from PubChem (CID 158623886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).