5-bromo-2-methylpyridin-3-amine;2-(5-bromo-2-methyl-3-pyridinyl)-1-(3,3-difluoroazetidin-1-yl)ethanone;2-[5-[2-[(2-cyclopropylpyrimidin-4-yl)amino]-4-pyridinyl]-2-methyl-3-pyridinyl]-1-(3,3-difluoroazetidin-1-yl)ethanone;2-cyclopropyl-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]pyrimidin-4-amine;3,3-difluoroazetidine

C61H68BBr2F6N15O4 — CID 160712540

About 5-bromo-2-methylpyridin-3-amine;2-(5-bromo-2-methyl-3-pyridinyl)-1-(3,3-difluoroazetidin-1-yl)ethanone;2-[5-[2-[(2-cyclopropylpyrimidin-4-yl)amino]-4-pyridinyl]-2-methyl-3-pyridinyl]-1-(3,3-difluoroazetidin-1-yl)ethanone;2-cyclopropyl-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]pyrimidin-4-amine;3,3-difluoroazetidine

5-bromo-2-methylpyridin-3-amine;2-(5-bromo-2-methyl-3-pyridinyl)-1-(3,3-difluoroazetidin-1-yl)ethanone;2-[5-[2-[(2-cyclopropylpyrimidin-4-yl)amino]-4-pyridinyl]-2-methyl-3-pyridinyl]-1-(3,3-difluoroazetidin-1-yl)ethanone;2-cyclopropyl-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]pyrimidin-4-amine;3,3-difluoroazetidine (PubChem CID 160712540) has the molecular formula C61H68BBr2F6N15O4 and a molecular weight of 1359.92 g/mol. Its IUPAC name is 5-bromo-2-methylpyridin-3-amine;2-(5-bromo-2-methyl-3-pyridinyl)-1-(3,3-difluoroazetidin-1-yl)ethanone;2-[5-[2-[(2-cyclopropylpyrimidin-4-yl)amino]-4-pyridinyl]-2-methyl-3-pyridinyl]-1-(3,3-difluoroazetidin-1-yl)ethanone;2-cyclopropyl-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]pyrimidin-4-amine;3,3-difluoroazetidine.

Molecular Properties

• Compound Name: 5-bromo-2-methylpyridin-3-amine;2-(5-bromo-2-methyl-3-pyridinyl)-1-(3,3-difluoroazetidin-1-yl)ethanone;2-[5-[2-[(2-cyclopropylpyrimidin-4-yl)amino]-4-pyridinyl]-2-methyl-3-pyridinyl]-1-(3,3-difluoroazetidin-1-yl)ethanone;2-cyclopropyl-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]pyrimidin-4-amine;3,3-difluoroazetidine
• PubChem CID: 160712540
• Molecular Formula: C61H68BBr2F6N15O4
• Molecular Weight: 1359.92 g/mol
• Exact Mass: 1357.39
• IUPAC Name: 5-bromo-2-methylpyridin-3-amine;2-(5-bromo-2-methyl-3-pyridinyl)-1-(3,3-difluoroazetidin-1-yl)ethanone;2-[5-[2-[(2-cyclopropylpyrimidin-4-yl)amino]-4-pyridinyl]-2-methyl-3-pyridinyl]-1-(3,3-difluoroazetidin-1-yl)ethanone;2-cyclopropyl-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]pyrimidin-4-amine;3,3-difluoroazetidine
• SMILES: CC1(C)OB(c2ccnc(Nc3ccnc(C4CC4)n3)c2)OC1(C)C.Cc1ncc(-c2ccnc(Nc3ccnc(C4CC4)n3)c2)cc1CC(=O)N1CC(F)(F)C1.Cc1ncc(Br)cc1CC(=O)N1CC(F)(F)C1.Cc1ncc(Br)cc1N.FC1(F)CNC1
• InChI: InChI=1S/C23H22F2N6O.C18H23BN4O2.C11H11BrF2N2O.C6H7BrN2.C3H5F2N/c1-14-17(10-21(32)31-12-23(24,25)13-31)8-18(11-28-14)16-4-6-26-20(9-16)29-19-5-7-27-22(30-19)15-2-3-15;1-17(2)18(3,4)25-19(24-17)13-7-9-20-15(11-13)22-14-8-10-21-16(23-14)12-5-6-12;1-7-8(2-9(12)4-15-7)3-10(17)16-5-11(13,14)6-16;1-4-6(8)2-5(7)3-9-4;4-3(5)1-6-2-3/h4-9,11,15H,2-3,10,12-13H2,1H3,(H,26,27,29,30);7-12H,5-6H2,1-4H3,(H,20,21,22,23);2,4H,3,5-6H2,1H3;2-3H,8H2,1H3;6H,1-2H2
• InChIKey: RSAWTSYLAHBKHA-UHFFFAOYSA-N
• XLogP: 10.81
• TPSA: 237.20 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 17
• Rotatable Bonds: 12
• Heavy Atoms: 89
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1359.92
LogP ≤ 5	10.81
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methylpyridin-3-amine;2-(5-bromo-2-methyl-3-pyridinyl)-1-(3,3-difluoroazetidin-1-yl)ethanone;2-[5-[2-[(2-cyclopropylpyrimidin-4-yl)amino]-4-pyridinyl]-2-methyl-3-pyridinyl]-1-(3,3-difluoroazetidin-1-yl)ethanone;2-cyclopropyl-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]pyrimidin-4-amine;3,3-difluoroazetidine?

The IUPAC name of 5-bromo-2-methylpyridin-3-amine;2-(5-bromo-2-methyl-3-pyridinyl)-1-(3,3-difluoroazetidin-1-yl)ethanone;2-[5-[2-[(2-cyclopropylpyrimidin-4-yl)amino]-4-pyridinyl]-2-methyl-3-pyridinyl]-1-(3,3-difluoroazetidin-1-yl)ethanone;2-cyclopropyl-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]pyrimidin-4-amine;3,3-difluoroazetidine (CID 160712540) is 5-bromo-2-methylpyridin-3-amine;2-(5-bromo-2-methyl-3-pyridinyl)-1-(3,3-difluoroazetidin-1-yl)ethanone;2-[5-[2-[(2-cyclopropylpyrimidin-4-yl)amino]-4-pyridinyl]-2-methyl-3-pyridinyl]-1-(3,3-difluoroazetidin-1-yl)ethanone;2-cyclopropyl-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]pyrimidin-4-amine;3,3-difluoroazetidine.

What is the SMILES notation for 5-bromo-2-methylpyridin-3-amine;2-(5-bromo-2-methyl-3-pyridinyl)-1-(3,3-difluoroazetidin-1-yl)ethanone;2-[5-[2-[(2-cyclopropylpyrimidin-4-yl)amino]-4-pyridinyl]-2-methyl-3-pyridinyl]-1-(3,3-difluoroazetidin-1-yl)ethanone;2-cyclopropyl-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]pyrimidin-4-amine;3,3-difluoroazetidine?

The canonical SMILES for 5-bromo-2-methylpyridin-3-amine;2-(5-bromo-2-methyl-3-pyridinyl)-1-(3,3-difluoroazetidin-1-yl)ethanone;2-[5-[2-[(2-cyclopropylpyrimidin-4-yl)amino]-4-pyridinyl]-2-methyl-3-pyridinyl]-1-(3,3-difluoroazetidin-1-yl)ethanone;2-cyclopropyl-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]pyrimidin-4-amine;3,3-difluoroazetidine is CC1(C)OB(c2ccnc(Nc3ccnc(C4CC4)n3)c2)OC1(C)C.Cc1ncc(-c2ccnc(Nc3ccnc(C4CC4)n3)c2)cc1CC(=O)N1CC(F)(F)C1.Cc1ncc(Br)cc1CC(=O)N1CC(F)(F)C1.Cc1ncc(Br)cc1N.FC1(F)CNC1.

What is the InChIKey of 5-bromo-2-methylpyridin-3-amine;2-(5-bromo-2-methyl-3-pyridinyl)-1-(3,3-difluoroazetidin-1-yl)ethanone;2-[5-[2-[(2-cyclopropylpyrimidin-4-yl)amino]-4-pyridinyl]-2-methyl-3-pyridinyl]-1-(3,3-difluoroazetidin-1-yl)ethanone;2-cyclopropyl-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]pyrimidin-4-amine;3,3-difluoroazetidine?

The InChIKey is RSAWTSYLAHBKHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F2N6O.C18H23BN4O2.C11H11BrF2N2O.C6H7BrN2.C3H5F2N/c1-14-17(10-21(32)31-12-23(24,25)13-31)8-18(11-28-14)16-4-6-26-20(9-16)29-19-5-7-27-22(30-19)15-2-3-15;1-17(2)18(3,4)25-19(24-17)13-7-9-20-15(11-13)22-14-8-10-21-16(23-14)12-5-6-12;1-7-8(2-9(12)4-15-7)3-10(17)16-5-11(13,14)6-16;1-4-6(8)2-5(7)3-9-4;4-3(5)1-6-2-3/h4-9,11,15H,2-3,10,12-13H2,1H3,(H,26,27,29,30);7-12H,5-6H2,1-4H3,(H,20,21,22,23);2,4H,3,5-6H2,1H3;2-3H,8H2,1H3;6H,1-2H2.

What are the key properties of 5-bromo-2-methylpyridin-3-amine;2-(5-bromo-2-methyl-3-pyridinyl)-1-(3,3-difluoroazetidin-1-yl)ethanone;2-[5-[2-[(2-cyclopropylpyrimidin-4-yl)amino]-4-pyridinyl]-2-methyl-3-pyridinyl]-1-(3,3-difluoroazetidin-1-yl)ethanone;2-cyclopropyl-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]pyrimidin-4-amine;3,3-difluoroazetidine?

5-bromo-2-methylpyridin-3-amine;2-(5-bromo-2-methyl-3-pyridinyl)-1-(3,3-difluoroazetidin-1-yl)ethanone;2-[5-[2-[(2-cyclopropylpyrimidin-4-yl)amino]-4-pyridinyl]-2-methyl-3-pyridinyl]-1-(3,3-difluoroazetidin-1-yl)ethanone;2-cyclopropyl-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]pyrimidin-4-amine;3,3-difluoroazetidine has a molecular weight of 1359.92 g/mol, XLogP of 10.81, 12 rotatable bonds, 4 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-2-methylpyridin-3-amine;2-(5-bromo-2-methyl-3-pyridinyl)-1-(3,3-difluoroazetidin-1-yl)ethanone;2-[5-[2-[(2-cyclopropylpyrimidin-4-yl)amino]-4-pyridinyl]-2-methyl-3-pyridinyl]-1-(3,3-difluoroazetidin-1-yl)ethanone;2-cyclopropyl-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]pyrimidin-4-amine;3,3-difluoroazetidine is sourced from PubChem (CID 160712540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).