3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;3-bromo-5-[2-(dimethylamino)pyrimidin-5-yl]-N-[(2,4-dimethyl-6-oxocyclohexa-1,3-dien-1-yl)methyl]-2-methylbenzamide;3-bromo-N-[(2,4-dimethyl-6-oxocyclohexa-1,3-dien-1-yl)methyl]-5-iodo-2-methylbenzamide;3-bromo-5-iodo-2-methylbenzoic acid;deuterio(fluoro)methane;5-[2-(dimethylamino)pyrimidin-5-yl]-N-[(2,4-dimethyl-6-oxocyclohexa-1,3-dien-1-yl)methyl]-2-methyl-3-(2-methylpyrazol-3-yl)benzamide;N,N-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-amine;1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole

C106H130B2Br3FI2N18O13 — CID 159458168

About 3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;3-bromo-5-[2-(dimethylamino)pyrimidin-5-yl]-N-[(2,4-dimethyl-6-oxocyclohexa-1,3-dien-1-yl)methyl]-2-methylbenzamide;3-bromo-N-[(2,4-dimethyl-6-oxocyclohexa-1,3-dien-1-yl)methyl]-5-iodo-2-methylbenzamide;3-bromo-5-iodo-2-methylbenzoic acid;deuterio(fluoro)methane;5-[2-(dimethylamino)pyrimidin-5-yl]-N-[(2,4-dimethyl-6-oxocyclohexa-1,3-dien-1-yl)methyl]-2-methyl-3-(2-methylpyrazol-3-yl)benzamide;N,N-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-amine;1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole

3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;3-bromo-5-[2-(dimethylamino)pyrimidin-5-yl]-N-[(2,4-dimethyl-6-oxocyclohexa-1,3-dien-1-yl)methyl]-2-methylbenzamide;3-bromo-N-[(2,4-dimethyl-6-oxocyclohexa-1,3-dien-1-yl)methyl]-5-iodo-2-methylbenzamide;3-bromo-5-iodo-2-methylbenzoic acid;deuterio(fluoro)methane;5-[2-(dimethylamino)pyrimidin-5-yl]-N-[(2,4-dimethyl-6-oxocyclohexa-1,3-dien-1-yl)methyl]-2-methyl-3-(2-methylpyrazol-3-yl)benzamide;N,N-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-amine;1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole (PubChem CID 159458168) has the molecular formula C106H130B2Br3FI2N18O13 and a molecular weight of 2399.47 g/mol. Its IUPAC name is 3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;3-bromo-5-[2-(dimethylamino)pyrimidin-5-yl]-N-[(2,4-dimethyl-6-oxocyclohexa-1,3-dien-1-yl)methyl]-2-methylbenzamide;3-bromo-N-[(2,4-dimethyl-6-oxocyclohexa-1,3-dien-1-yl)methyl]-5-iodo-2-methylbenzamide;3-bromo-5-iodo-2-methylbenzoic acid;deuterio(fluoro)methane;5-[2-(dimethylamino)pyrimidin-5-yl]-N-[(2,4-dimethyl-6-oxocyclohexa-1,3-dien-1-yl)methyl]-2-methyl-3-(2-methylpyrazol-3-yl)benzamide;N,N-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-amine;1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole.

Molecular Properties

• Compound Name: 3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;3-bromo-5-[2-(dimethylamino)pyrimidin-5-yl]-N-[(2,4-dimethyl-6-oxocyclohexa-1,3-dien-1-yl)methyl]-2-methylbenzamide;3-bromo-N-[(2,4-dimethyl-6-oxocyclohexa-1,3-dien-1-yl)methyl]-5-iodo-2-methylbenzamide;3-bromo-5-iodo-2-methylbenzoic acid;deuterio(fluoro)methane;5-[2-(dimethylamino)pyrimidin-5-yl]-N-[(2,4-dimethyl-6-oxocyclohexa-1,3-dien-1-yl)methyl]-2-methyl-3-(2-methylpyrazol-3-yl)benzamide;N,N-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-amine;1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
• PubChem CID: 159458168
• Molecular Formula: C106H130B2Br3FI2N18O13
• Molecular Weight: 2399.47 g/mol
• Exact Mass: 2395.59
• IUPAC Name: 3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;3-bromo-5-[2-(dimethylamino)pyrimidin-5-yl]-N-[(2,4-dimethyl-6-oxocyclohexa-1,3-dien-1-yl)methyl]-2-methylbenzamide;3-bromo-N-[(2,4-dimethyl-6-oxocyclohexa-1,3-dien-1-yl)methyl]-5-iodo-2-methylbenzamide;3-bromo-5-iodo-2-methylbenzoic acid;deuterio(fluoro)methane;5-[2-(dimethylamino)pyrimidin-5-yl]-N-[(2,4-dimethyl-6-oxocyclohexa-1,3-dien-1-yl)methyl]-2-methyl-3-(2-methylpyrazol-3-yl)benzamide;N,N-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-amine;1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
• SMILES: CC1=CC(C)=C(CNC(=O)c2cc(-c3cnc(N(C)C)nc3)cc(-c3ccnn3C)c2C)C(=O)C1.CC1=CC(C)=C(CNC(=O)c2cc(-c3cnc(N(C)C)nc3)cc(Br)c2C)C(=O)C1.CC1=CC(C)=C(CNC(=O)c2cc(I)cc(Br)c2C)C(=O)C1.CN(C)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1.Cc1c(Br)cc(I)cc1C(=O)O.Cc1cc(C)c(CN)c(=O)[nH]1.Cn1nccc1B1OC(C)(C)C(C)(C)O1.[2H]CF
• InChI: InChI=1S/C27H30N6O2.C23H25BrN4O2.C17H17BrINO2.C12H20BN3O2.C10H17BN2O2.C8H6BrIO2.C8H12N2O.CH3F/c1-16-9-17(2)23(25(34)10-16)15-28-26(35)22-12-19(20-13-29-27(30-14-20)32(4)5)11-21(18(22)3)24-7-8-31-33(24)6;1-13-6-14(2)19(21(29)7-13)12-25-22(30)18-8-16(9-20(24)15(18)3)17-10-26-23(27-11-17)28(4)5;1-9-4-10(2)14(16(21)5-9)8-20-17(22)13-6-12(19)7-15(18)11(13)3;1-11(2)12(3,4)18-13(17-11)9-7-14-10(15-8-9)16(5)6;1-9(2)10(3,4)15-11(14-9)8-6-7-12-13(8)5;1-4-6(8(11)12)2-5(10)3-7(4)9;1-5-3-6(2)10-8(11)7(5)4-9;1-2/h7-9,11-14H,10,15H2,1-6H3,(H,28,35);6,8-11H,7,12H2,1-5H3,(H,25,30);4,6-7H,5,8H2,1-3H3,(H,20,22);7-8H,1-6H3;6-7H,1-5H3;2-3H,1H3,(H,11,12);3H,4,9H2,1-2H3,(H,10,11);1H3/i;;;;;;;1D
• InChIKey: LUFZXKXKRHUZEH-YKGPXHCOSA-N
• XLogP: 18.11
• TPSA: 394.31 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 26
• Rotatable Bonds: 19
• Heavy Atoms: 145
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2399.47
LogP ≤ 5	18.11
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;3-bromo-5-[2-(dimethylamino)pyrimidin-5-yl]-N-[(2,4-dimethyl-6-oxocyclohexa-1,3-dien-1-yl)methyl]-2-methylbenzamide;3-bromo-N-[(2,4-dimethyl-6-oxocyclohexa-1,3-dien-1-yl)methyl]-5-iodo-2-methylbenzamide;3-bromo-5-iodo-2-methylbenzoic acid;deuterio(fluoro)methane;5-[2-(dimethylamino)pyrimidin-5-yl]-N-[(2,4-dimethyl-6-oxocyclohexa-1,3-dien-1-yl)methyl]-2-methyl-3-(2-methylpyrazol-3-yl)benzamide;N,N-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-amine;1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole?

The IUPAC name of 3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;3-bromo-5-[2-(dimethylamino)pyrimidin-5-yl]-N-[(2,4-dimethyl-6-oxocyclohexa-1,3-dien-1-yl)methyl]-2-methylbenzamide;3-bromo-N-[(2,4-dimethyl-6-oxocyclohexa-1,3-dien-1-yl)methyl]-5-iodo-2-methylbenzamide;3-bromo-5-iodo-2-methylbenzoic acid;deuterio(fluoro)methane;5-[2-(dimethylamino)pyrimidin-5-yl]-N-[(2,4-dimethyl-6-oxocyclohexa-1,3-dien-1-yl)methyl]-2-methyl-3-(2-methylpyrazol-3-yl)benzamide;N,N-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-amine;1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole (CID 159458168) is 3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;3-bromo-5-[2-(dimethylamino)pyrimidin-5-yl]-N-[(2,4-dimethyl-6-oxocyclohexa-1,3-dien-1-yl)methyl]-2-methylbenzamide;3-bromo-N-[(2,4-dimethyl-6-oxocyclohexa-1,3-dien-1-yl)methyl]-5-iodo-2-methylbenzamide;3-bromo-5-iodo-2-methylbenzoic acid;deuterio(fluoro)methane;5-[2-(dimethylamino)pyrimidin-5-yl]-N-[(2,4-dimethyl-6-oxocyclohexa-1,3-dien-1-yl)methyl]-2-methyl-3-(2-methylpyrazol-3-yl)benzamide;N,N-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-amine;1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole.

What is the SMILES notation for 3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;3-bromo-5-[2-(dimethylamino)pyrimidin-5-yl]-N-[(2,4-dimethyl-6-oxocyclohexa-1,3-dien-1-yl)methyl]-2-methylbenzamide;3-bromo-N-[(2,4-dimethyl-6-oxocyclohexa-1,3-dien-1-yl)methyl]-5-iodo-2-methylbenzamide;3-bromo-5-iodo-2-methylbenzoic acid;deuterio(fluoro)methane;5-[2-(dimethylamino)pyrimidin-5-yl]-N-[(2,4-dimethyl-6-oxocyclohexa-1,3-dien-1-yl)methyl]-2-methyl-3-(2-methylpyrazol-3-yl)benzamide;N,N-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-amine;1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole?

The canonical SMILES for 3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;3-bromo-5-[2-(dimethylamino)pyrimidin-5-yl]-N-[(2,4-dimethyl-6-oxocyclohexa-1,3-dien-1-yl)methyl]-2-methylbenzamide;3-bromo-N-[(2,4-dimethyl-6-oxocyclohexa-1,3-dien-1-yl)methyl]-5-iodo-2-methylbenzamide;3-bromo-5-iodo-2-methylbenzoic acid;deuterio(fluoro)methane;5-[2-(dimethylamino)pyrimidin-5-yl]-N-[(2,4-dimethyl-6-oxocyclohexa-1,3-dien-1-yl)methyl]-2-methyl-3-(2-methylpyrazol-3-yl)benzamide;N,N-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-amine;1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole is CC1=CC(C)=C(CNC(=O)c2cc(-c3cnc(N(C)C)nc3)cc(-c3ccnn3C)c2C)C(=O)C1.CC1=CC(C)=C(CNC(=O)c2cc(-c3cnc(N(C)C)nc3)cc(Br)c2C)C(=O)C1.CC1=CC(C)=C(CNC(=O)c2cc(I)cc(Br)c2C)C(=O)C1.CN(C)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1.Cc1c(Br)cc(I)cc1C(=O)O.Cc1cc(C)c(CN)c(=O)[nH]1.Cn1nccc1B1OC(C)(C)C(C)(C)O1.[2H]CF.

What is the InChIKey of 3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;3-bromo-5-[2-(dimethylamino)pyrimidin-5-yl]-N-[(2,4-dimethyl-6-oxocyclohexa-1,3-dien-1-yl)methyl]-2-methylbenzamide;3-bromo-N-[(2,4-dimethyl-6-oxocyclohexa-1,3-dien-1-yl)methyl]-5-iodo-2-methylbenzamide;3-bromo-5-iodo-2-methylbenzoic acid;deuterio(fluoro)methane;5-[2-(dimethylamino)pyrimidin-5-yl]-N-[(2,4-dimethyl-6-oxocyclohexa-1,3-dien-1-yl)methyl]-2-methyl-3-(2-methylpyrazol-3-yl)benzamide;N,N-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-amine;1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole?

The InChIKey is LUFZXKXKRHUZEH-YKGPXHCOSA-N. The full InChI is InChI=1S/C27H30N6O2.C23H25BrN4O2.C17H17BrINO2.C12H20BN3O2.C10H17BN2O2.C8H6BrIO2.C8H12N2O.CH3F/c1-16-9-17(2)23(25(34)10-16)15-28-26(35)22-12-19(20-13-29-27(30-14-20)32(4)5)11-21(18(22)3)24-7-8-31-33(24)6;1-13-6-14(2)19(21(29)7-13)12-25-22(30)18-8-16(9-20(24)15(18)3)17-10-26-23(27-11-17)28(4)5;1-9-4-10(2)14(16(21)5-9)8-20-17(22)13-6-12(19)7-15(18)11(13)3;1-11(2)12(3,4)18-13(17-11)9-7-14-10(15-8-9)16(5)6;1-9(2)10(3,4)15-11(14-9)8-6-7-12-13(8)5;1-4-6(8(11)12)2-5(10)3-7(4)9;1-5-3-6(2)10-8(11)7(5)4-9;1-2/h7-9,11-14H,10,15H2,1-6H3,(H,28,35);6,8-11H,7,12H2,1-5H3,(H,25,30);4,6-7H,5,8H2,1-3H3,(H,20,22);7-8H,1-6H3;6-7H,1-5H3;2-3H,1H3,(H,11,12);3H,4,9H2,1-2H3,(H,10,11);1H3/i;;;;;;;1D.

What are the key properties of 3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;3-bromo-5-[2-(dimethylamino)pyrimidin-5-yl]-N-[(2,4-dimethyl-6-oxocyclohexa-1,3-dien-1-yl)methyl]-2-methylbenzamide;3-bromo-N-[(2,4-dimethyl-6-oxocyclohexa-1,3-dien-1-yl)methyl]-5-iodo-2-methylbenzamide;3-bromo-5-iodo-2-methylbenzoic acid;deuterio(fluoro)methane;5-[2-(dimethylamino)pyrimidin-5-yl]-N-[(2,4-dimethyl-6-oxocyclohexa-1,3-dien-1-yl)methyl]-2-methyl-3-(2-methylpyrazol-3-yl)benzamide;N,N-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-amine;1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole?

3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;3-bromo-5-[2-(dimethylamino)pyrimidin-5-yl]-N-[(2,4-dimethyl-6-oxocyclohexa-1,3-dien-1-yl)methyl]-2-methylbenzamide;3-bromo-N-[(2,4-dimethyl-6-oxocyclohexa-1,3-dien-1-yl)methyl]-5-iodo-2-methylbenzamide;3-bromo-5-iodo-2-methylbenzoic acid;deuterio(fluoro)methane;5-[2-(dimethylamino)pyrimidin-5-yl]-N-[(2,4-dimethyl-6-oxocyclohexa-1,3-dien-1-yl)methyl]-2-methyl-3-(2-methylpyrazol-3-yl)benzamide;N,N-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-amine;1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole has a molecular weight of 2399.47 g/mol, XLogP of 18.11, 19 rotatable bonds, 6 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;3-bromo-5-[2-(dimethylamino)pyrimidin-5-yl]-N-[(2,4-dimethyl-6-oxocyclohexa-1,3-dien-1-yl)methyl]-2-methylbenzamide;3-bromo-N-[(2,4-dimethyl-6-oxocyclohexa-1,3-dien-1-yl)methyl]-5-iodo-2-methylbenzamide;3-bromo-5-iodo-2-methylbenzoic acid;deuterio(fluoro)methane;5-[2-(dimethylamino)pyrimidin-5-yl]-N-[(2,4-dimethyl-6-oxocyclohexa-1,3-dien-1-yl)methyl]-2-methyl-3-(2-methylpyrazol-3-yl)benzamide;N,N-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-amine;1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole is sourced from PubChem (CID 159458168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).