5-bromo-2-fluoropyrimidine;bis(5-bromo-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine);6-methoxy-5-(trifluoromethyl)pyridin-3-amine;N-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]-2-[4-[2-[(1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]acetamide;bis(N-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetamide);1-methylpyrazol-4-amine;2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetic acid

C111H120B3Br3F13N27O15 — CID 158672070

About 5-bromo-2-fluoropyrimidine;bis(5-bromo-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine);6-methoxy-5-(trifluoromethyl)pyridin-3-amine;N-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]-2-[4-[2-[(1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]acetamide;bis(N-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetamide);1-methylpyrazol-4-amine;2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetic acid

5-bromo-2-fluoropyrimidine;bis(5-bromo-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine);6-methoxy-5-(trifluoromethyl)pyridin-3-amine;N-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]-2-[4-[2-[(1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]acetamide;bis(N-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetamide);1-methylpyrazol-4-amine;2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetic acid (PubChem CID 158672070) has the molecular formula C111H120B3Br3F13N27O15 and a molecular weight of 2591.48 g/mol. Its IUPAC name is 5-bromo-2-fluoropyrimidine;bis(5-bromo-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine);6-methoxy-5-(trifluoromethyl)pyridin-3-amine;N-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]-2-[4-[2-[(1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]acetamide;bis(N-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetamide);1-methylpyrazol-4-amine;2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetic acid.

Molecular Properties

• Compound Name: 5-bromo-2-fluoropyrimidine;bis(5-bromo-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine);6-methoxy-5-(trifluoromethyl)pyridin-3-amine;N-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]-2-[4-[2-[(1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]acetamide;bis(N-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetamide);1-methylpyrazol-4-amine;2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetic acid
• PubChem CID: 158672070
• Molecular Formula: C111H120B3Br3F13N27O15
• Molecular Weight: 2591.48 g/mol
• Exact Mass: 2587.71
• IUPAC Name: 5-bromo-2-fluoropyrimidine;bis(5-bromo-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine);6-methoxy-5-(trifluoromethyl)pyridin-3-amine;N-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]-2-[4-[2-[(1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]acetamide;bis(N-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetamide);1-methylpyrazol-4-amine;2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetic acid
• SMILES: CC1(C)OB(c2ccc(CC(=O)O)cc2)OC1(C)C.COc1ncc(N)cc1C(F)(F)F.COc1ncc(NC(=O)Cc2ccc(-c3cnc(Cc4cnn(C)c4)nc3)cc2)cc1C(F)(F)F.COc1ncc(NC(=O)Cc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)cc1C(F)(F)F.COc1ncc(NC(=O)Cc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)cc1C(F)(F)F.Cn1cc(N)cn1.Cn1cc(Nc2ncc(Br)cn2)cn1.Cn1cc(Nc2ncc(Br)cn2)cn1.Fc1ncc(Br)cn1
• InChI: InChI=1S/C24H21F3N6O2.2C21H24BF3N2O4.C14H19BO4.2C8H8BrN5.C7H7F3N2O.C4H2BrFN2.C4H7N3/c1-33-14-16(10-31-33)7-21-28-11-18(12-29-21)17-5-3-15(4-6-17)8-22(34)32-19-9-20(24(25,26)27)23(35-2)30-13-19;2*1-19(2)20(3,4)31-22(30-19)14-8-6-13(7-9-14)10-17(28)27-15-11-16(21(23,24)25)18(29-5)26-12-15;1-13(2)14(3,4)19-15(18-13)11-7-5-10(6-8-11)9-12(16)17;2*1-14-5-7(4-12-14)13-8-10-2-6(9)3-11-8;1-13-6-5(7(8,9)10)2-4(11)3-12-6;5-3-1-7-4(6)8-2-3;1-7-3-4(5)2-6-7/h3-6,9-14H,7-8H2,1-2H3,(H,32,34);2*6-9,11-12H,10H2,1-5H3,(H,27,28);5-8H,9H2,1-4H3,(H,16,17);2*2-5H,1H3,(H,10,11,13);2-3H,11H2,1H3;1-2H;2-3H,5H2,1H3
• InChIKey: IEBMDDSUDYJHJE-UHFFFAOYSA-N
• XLogP: 19.37
• TPSA: 518.96 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 38
• Rotatable Bonds: 25
• Heavy Atoms: 172
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2591.48
LogP ≤ 5	19.37
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-fluoropyrimidine;bis(5-bromo-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine);6-methoxy-5-(trifluoromethyl)pyridin-3-amine;N-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]-2-[4-[2-[(1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]acetamide;bis(N-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetamide);1-methylpyrazol-4-amine;2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetic acid?

The IUPAC name of 5-bromo-2-fluoropyrimidine;bis(5-bromo-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine);6-methoxy-5-(trifluoromethyl)pyridin-3-amine;N-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]-2-[4-[2-[(1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]acetamide;bis(N-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetamide);1-methylpyrazol-4-amine;2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetic acid (CID 158672070) is 5-bromo-2-fluoropyrimidine;bis(5-bromo-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine);6-methoxy-5-(trifluoromethyl)pyridin-3-amine;N-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]-2-[4-[2-[(1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]acetamide;bis(N-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetamide);1-methylpyrazol-4-amine;2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetic acid.

What is the SMILES notation for 5-bromo-2-fluoropyrimidine;bis(5-bromo-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine);6-methoxy-5-(trifluoromethyl)pyridin-3-amine;N-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]-2-[4-[2-[(1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]acetamide;bis(N-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetamide);1-methylpyrazol-4-amine;2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetic acid?

The canonical SMILES for 5-bromo-2-fluoropyrimidine;bis(5-bromo-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine);6-methoxy-5-(trifluoromethyl)pyridin-3-amine;N-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]-2-[4-[2-[(1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]acetamide;bis(N-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetamide);1-methylpyrazol-4-amine;2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetic acid is CC1(C)OB(c2ccc(CC(=O)O)cc2)OC1(C)C.COc1ncc(N)cc1C(F)(F)F.COc1ncc(NC(=O)Cc2ccc(-c3cnc(Cc4cnn(C)c4)nc3)cc2)cc1C(F)(F)F.COc1ncc(NC(=O)Cc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)cc1C(F)(F)F.COc1ncc(NC(=O)Cc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)cc1C(F)(F)F.Cn1cc(N)cn1.Cn1cc(Nc2ncc(Br)cn2)cn1.Cn1cc(Nc2ncc(Br)cn2)cn1.Fc1ncc(Br)cn1.

What is the InChIKey of 5-bromo-2-fluoropyrimidine;bis(5-bromo-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine);6-methoxy-5-(trifluoromethyl)pyridin-3-amine;N-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]-2-[4-[2-[(1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]acetamide;bis(N-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetamide);1-methylpyrazol-4-amine;2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetic acid?

The InChIKey is IEBMDDSUDYJHJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F3N6O2.2C21H24BF3N2O4.C14H19BO4.2C8H8BrN5.C7H7F3N2O.C4H2BrFN2.C4H7N3/c1-33-14-16(10-31-33)7-21-28-11-18(12-29-21)17-5-3-15(4-6-17)8-22(34)32-19-9-20(24(25,26)27)23(35-2)30-13-19;2*1-19(2)20(3,4)31-22(30-19)14-8-6-13(7-9-14)10-17(28)27-15-11-16(21(23,24)25)18(29-5)26-12-15;1-13(2)14(3,4)19-15(18-13)11-7-5-10(6-8-11)9-12(16)17;2*1-14-5-7(4-12-14)13-8-10-2-6(9)3-11-8;1-13-6-5(7(8,9)10)2-4(11)3-12-6;5-3-1-7-4(6)8-2-3;1-7-3-4(5)2-6-7/h3-6,9-14H,7-8H2,1-2H3,(H,32,34);2*6-9,11-12H,10H2,1-5H3,(H,27,28);5-8H,9H2,1-4H3,(H,16,17);2*2-5H,1H3,(H,10,11,13);2-3H,11H2,1H3;1-2H;2-3H,5H2,1H3.

What are the key properties of 5-bromo-2-fluoropyrimidine;bis(5-bromo-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine);6-methoxy-5-(trifluoromethyl)pyridin-3-amine;N-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]-2-[4-[2-[(1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]acetamide;bis(N-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetamide);1-methylpyrazol-4-amine;2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetic acid?

5-bromo-2-fluoropyrimidine;bis(5-bromo-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine);6-methoxy-5-(trifluoromethyl)pyridin-3-amine;N-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]-2-[4-[2-[(1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]acetamide;bis(N-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetamide);1-methylpyrazol-4-amine;2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetic acid has a molecular weight of 2591.48 g/mol, XLogP of 19.37, 25 rotatable bonds, 8 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-2-fluoropyrimidine;bis(5-bromo-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine);6-methoxy-5-(trifluoromethyl)pyridin-3-amine;N-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]-2-[4-[2-[(1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]acetamide;bis(N-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetamide);1-methylpyrazol-4-amine;2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetic acid is sourced from PubChem (CID 158672070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).