4-(2-amino-5-piperidin-4-yl-3-pyridinyl)-2-fluoro-N-methyl-N-(pyrimidin-2-ylmethyl)benzamide;4-bromo-2-fluorobenzoic acid;4-bromo-2-fluoro-N-methyl-N-(pyrimidin-2-ylmethyl)benzamide;4-bromo-2-fluoro-N-(pyrimidin-2-ylmethyl)benzamide;3-bromo-5-(oxan-4-yl)pyridin-2-amine;5-bromopyridin-2-amine;2-(3,6-dihydro-2H-pyran-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;5-(oxan-4-yl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine;pyrimidin-2-ylmethanamine

C102H118B2Br5F4N21O12 — CID 158565426

About 4-(2-amino-5-piperidin-4-yl-3-pyridinyl)-2-fluoro-N-methyl-N-(pyrimidin-2-ylmethyl)benzamide;4-bromo-2-fluorobenzoic acid;4-bromo-2-fluoro-N-methyl-N-(pyrimidin-2-ylmethyl)benzamide;4-bromo-2-fluoro-N-(pyrimidin-2-ylmethyl)benzamide;3-bromo-5-(oxan-4-yl)pyridin-2-amine;5-bromopyridin-2-amine;2-(3,6-dihydro-2H-pyran-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;5-(oxan-4-yl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine;pyrimidin-2-ylmethanamine

4-(2-amino-5-piperidin-4-yl-3-pyridinyl)-2-fluoro-N-methyl-N-(pyrimidin-2-ylmethyl)benzamide;4-bromo-2-fluorobenzoic acid;4-bromo-2-fluoro-N-methyl-N-(pyrimidin-2-ylmethyl)benzamide;4-bromo-2-fluoro-N-(pyrimidin-2-ylmethyl)benzamide;3-bromo-5-(oxan-4-yl)pyridin-2-amine;5-bromopyridin-2-amine;2-(3,6-dihydro-2H-pyran-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;5-(oxan-4-yl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine;pyrimidin-2-ylmethanamine (PubChem CID 158565426) has the molecular formula C102H118B2Br5F4N21O12 and a molecular weight of 2327.34 g/mol. Its IUPAC name is 4-(2-amino-5-piperidin-4-yl-3-pyridinyl)-2-fluoro-N-methyl-N-(pyrimidin-2-ylmethyl)benzamide;4-bromo-2-fluorobenzoic acid;4-bromo-2-fluoro-N-methyl-N-(pyrimidin-2-ylmethyl)benzamide;4-bromo-2-fluoro-N-(pyrimidin-2-ylmethyl)benzamide;3-bromo-5-(oxan-4-yl)pyridin-2-amine;5-bromopyridin-2-amine;2-(3,6-dihydro-2H-pyran-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;5-(oxan-4-yl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine;pyrimidin-2-ylmethanamine.

Molecular Properties

• Compound Name: 4-(2-amino-5-piperidin-4-yl-3-pyridinyl)-2-fluoro-N-methyl-N-(pyrimidin-2-ylmethyl)benzamide;4-bromo-2-fluorobenzoic acid;4-bromo-2-fluoro-N-methyl-N-(pyrimidin-2-ylmethyl)benzamide;4-bromo-2-fluoro-N-(pyrimidin-2-ylmethyl)benzamide;3-bromo-5-(oxan-4-yl)pyridin-2-amine;5-bromopyridin-2-amine;2-(3,6-dihydro-2H-pyran-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;5-(oxan-4-yl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine;pyrimidin-2-ylmethanamine
• PubChem CID: 158565426
• Molecular Formula: C102H118B2Br5F4N21O12
• Molecular Weight: 2327.34 g/mol
• Exact Mass: 2321.53
• IUPAC Name: 4-(2-amino-5-piperidin-4-yl-3-pyridinyl)-2-fluoro-N-methyl-N-(pyrimidin-2-ylmethyl)benzamide;4-bromo-2-fluorobenzoic acid;4-bromo-2-fluoro-N-methyl-N-(pyrimidin-2-ylmethyl)benzamide;4-bromo-2-fluoro-N-(pyrimidin-2-ylmethyl)benzamide;3-bromo-5-(oxan-4-yl)pyridin-2-amine;5-bromopyridin-2-amine;2-(3,6-dihydro-2H-pyran-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;5-(oxan-4-yl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine;pyrimidin-2-ylmethanamine
• SMILES: CC1(C)OB(C2=CCOCC2)OC1(C)C.CC1(C)OB(c2cc(C3CCOCC3)cnc2N)OC1(C)C.CN(Cc1ncccn1)C(=O)c1ccc(-c2cc(C3CCNCC3)cnc2N)cc1F.CN(Cc1ncccn1)C(=O)c1ccc(Br)cc1F.NCc1ncccn1.Nc1ccc(Br)cn1.Nc1ncc(C2CCOCC2)cc1Br.O=C(NCc1ncccn1)c1ccc(Br)cc1F.O=C(O)c1ccc(Br)cc1F
• InChI: InChI=1S/C23H25FN6O.C16H25BN2O3.C13H11BrFN3O.C12H9BrFN3O.C11H19BO3.C10H13BrN2O.C7H4BrFO2.C5H5BrN2.C5H7N3/c1-30(14-21-27-7-2-8-28-21)23(31)18-4-3-16(12-20(18)24)19-11-17(13-29-22(19)25)15-5-9-26-10-6-15;1-15(2)16(3,4)22-17(21-15)13-9-12(10-19-14(13)18)11-5-7-20-8-6-11;1-18(8-12-16-5-2-6-17-12)13(19)10-4-3-9(14)7-11(10)15;13-8-2-3-9(10(14)6-8)12(18)17-7-11-15-4-1-5-16-11;1-10(2)11(3,4)15-12(14-10)9-5-7-13-8-6-9;11-9-5-8(6-13-10(9)12)7-1-3-14-4-2-7;8-4-1-2-5(7(10)11)6(9)3-4;6-4-1-2-5(7)8-3-4;6-4-5-7-2-1-3-8-5/h2-4,7-8,11-13,15,26H,5-6,9-10,14H2,1H3,(H2,25,29);9-11H,5-8H2,1-4H3,(H2,18,19);2-7H,8H2,1H3;1-6H,7H2,(H,17,18);5H,6-8H2,1-4H3;5-7H,1-4H2,(H2,12,13);1-3H,(H,10,11);1-3H,(H2,7,8);1-3H,4,6H2
• InChIKey: HRKKSYXEWZDRCT-UHFFFAOYSA-N
• XLogP: 17.75
• TPSA: 468.44 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 29
• Rotatable Bonds: 17
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2327.34
LogP ≤ 5	17.75
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-5-piperidin-4-yl-3-pyridinyl)-2-fluoro-N-methyl-N-(pyrimidin-2-ylmethyl)benzamide;4-bromo-2-fluorobenzoic acid;4-bromo-2-fluoro-N-methyl-N-(pyrimidin-2-ylmethyl)benzamide;4-bromo-2-fluoro-N-(pyrimidin-2-ylmethyl)benzamide;3-bromo-5-(oxan-4-yl)pyridin-2-amine;5-bromopyridin-2-amine;2-(3,6-dihydro-2H-pyran-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;5-(oxan-4-yl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine;pyrimidin-2-ylmethanamine?

The IUPAC name of 4-(2-amino-5-piperidin-4-yl-3-pyridinyl)-2-fluoro-N-methyl-N-(pyrimidin-2-ylmethyl)benzamide;4-bromo-2-fluorobenzoic acid;4-bromo-2-fluoro-N-methyl-N-(pyrimidin-2-ylmethyl)benzamide;4-bromo-2-fluoro-N-(pyrimidin-2-ylmethyl)benzamide;3-bromo-5-(oxan-4-yl)pyridin-2-amine;5-bromopyridin-2-amine;2-(3,6-dihydro-2H-pyran-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;5-(oxan-4-yl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine;pyrimidin-2-ylmethanamine (CID 158565426) is 4-(2-amino-5-piperidin-4-yl-3-pyridinyl)-2-fluoro-N-methyl-N-(pyrimidin-2-ylmethyl)benzamide;4-bromo-2-fluorobenzoic acid;4-bromo-2-fluoro-N-methyl-N-(pyrimidin-2-ylmethyl)benzamide;4-bromo-2-fluoro-N-(pyrimidin-2-ylmethyl)benzamide;3-bromo-5-(oxan-4-yl)pyridin-2-amine;5-bromopyridin-2-amine;2-(3,6-dihydro-2H-pyran-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;5-(oxan-4-yl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine;pyrimidin-2-ylmethanamine.

What is the SMILES notation for 4-(2-amino-5-piperidin-4-yl-3-pyridinyl)-2-fluoro-N-methyl-N-(pyrimidin-2-ylmethyl)benzamide;4-bromo-2-fluorobenzoic acid;4-bromo-2-fluoro-N-methyl-N-(pyrimidin-2-ylmethyl)benzamide;4-bromo-2-fluoro-N-(pyrimidin-2-ylmethyl)benzamide;3-bromo-5-(oxan-4-yl)pyridin-2-amine;5-bromopyridin-2-amine;2-(3,6-dihydro-2H-pyran-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;5-(oxan-4-yl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine;pyrimidin-2-ylmethanamine?

The canonical SMILES for 4-(2-amino-5-piperidin-4-yl-3-pyridinyl)-2-fluoro-N-methyl-N-(pyrimidin-2-ylmethyl)benzamide;4-bromo-2-fluorobenzoic acid;4-bromo-2-fluoro-N-methyl-N-(pyrimidin-2-ylmethyl)benzamide;4-bromo-2-fluoro-N-(pyrimidin-2-ylmethyl)benzamide;3-bromo-5-(oxan-4-yl)pyridin-2-amine;5-bromopyridin-2-amine;2-(3,6-dihydro-2H-pyran-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;5-(oxan-4-yl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine;pyrimidin-2-ylmethanamine is CC1(C)OB(C2=CCOCC2)OC1(C)C.CC1(C)OB(c2cc(C3CCOCC3)cnc2N)OC1(C)C.CN(Cc1ncccn1)C(=O)c1ccc(-c2cc(C3CCNCC3)cnc2N)cc1F.CN(Cc1ncccn1)C(=O)c1ccc(Br)cc1F.NCc1ncccn1.Nc1ccc(Br)cn1.Nc1ncc(C2CCOCC2)cc1Br.O=C(NCc1ncccn1)c1ccc(Br)cc1F.O=C(O)c1ccc(Br)cc1F.

What is the InChIKey of 4-(2-amino-5-piperidin-4-yl-3-pyridinyl)-2-fluoro-N-methyl-N-(pyrimidin-2-ylmethyl)benzamide;4-bromo-2-fluorobenzoic acid;4-bromo-2-fluoro-N-methyl-N-(pyrimidin-2-ylmethyl)benzamide;4-bromo-2-fluoro-N-(pyrimidin-2-ylmethyl)benzamide;3-bromo-5-(oxan-4-yl)pyridin-2-amine;5-bromopyridin-2-amine;2-(3,6-dihydro-2H-pyran-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;5-(oxan-4-yl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine;pyrimidin-2-ylmethanamine?

The InChIKey is HRKKSYXEWZDRCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN6O.C16H25BN2O3.C13H11BrFN3O.C12H9BrFN3O.C11H19BO3.C10H13BrN2O.C7H4BrFO2.C5H5BrN2.C5H7N3/c1-30(14-21-27-7-2-8-28-21)23(31)18-4-3-16(12-20(18)24)19-11-17(13-29-22(19)25)15-5-9-26-10-6-15;1-15(2)16(3,4)22-17(21-15)13-9-12(10-19-14(13)18)11-5-7-20-8-6-11;1-18(8-12-16-5-2-6-17-12)13(19)10-4-3-9(14)7-11(10)15;13-8-2-3-9(10(14)6-8)12(18)17-7-11-15-4-1-5-16-11;1-10(2)11(3,4)15-12(14-10)9-5-7-13-8-6-9;11-9-5-8(6-13-10(9)12)7-1-3-14-4-2-7;8-4-1-2-5(7(10)11)6(9)3-4;6-4-1-2-5(7)8-3-4;6-4-5-7-2-1-3-8-5/h2-4,7-8,11-13,15,26H,5-6,9-10,14H2,1H3,(H2,25,29);9-11H,5-8H2,1-4H3,(H2,18,19);2-7H,8H2,1H3;1-6H,7H2,(H,17,18);5H,6-8H2,1-4H3;5-7H,1-4H2,(H2,12,13);1-3H,(H,10,11);1-3H,(H2,7,8);1-3H,4,6H2.

What are the key properties of 4-(2-amino-5-piperidin-4-yl-3-pyridinyl)-2-fluoro-N-methyl-N-(pyrimidin-2-ylmethyl)benzamide;4-bromo-2-fluorobenzoic acid;4-bromo-2-fluoro-N-methyl-N-(pyrimidin-2-ylmethyl)benzamide;4-bromo-2-fluoro-N-(pyrimidin-2-ylmethyl)benzamide;3-bromo-5-(oxan-4-yl)pyridin-2-amine;5-bromopyridin-2-amine;2-(3,6-dihydro-2H-pyran-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;5-(oxan-4-yl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine;pyrimidin-2-ylmethanamine?

4-(2-amino-5-piperidin-4-yl-3-pyridinyl)-2-fluoro-N-methyl-N-(pyrimidin-2-ylmethyl)benzamide;4-bromo-2-fluorobenzoic acid;4-bromo-2-fluoro-N-methyl-N-(pyrimidin-2-ylmethyl)benzamide;4-bromo-2-fluoro-N-(pyrimidin-2-ylmethyl)benzamide;3-bromo-5-(oxan-4-yl)pyridin-2-amine;5-bromopyridin-2-amine;2-(3,6-dihydro-2H-pyran-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;5-(oxan-4-yl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine;pyrimidin-2-ylmethanamine has a molecular weight of 2327.34 g/mol, XLogP of 17.75, 17 rotatable bonds, 8 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(2-amino-5-piperidin-4-yl-3-pyridinyl)-2-fluoro-N-methyl-N-(pyrimidin-2-ylmethyl)benzamide;4-bromo-2-fluorobenzoic acid;4-bromo-2-fluoro-N-methyl-N-(pyrimidin-2-ylmethyl)benzamide;4-bromo-2-fluoro-N-(pyrimidin-2-ylmethyl)benzamide;3-bromo-5-(oxan-4-yl)pyridin-2-amine;5-bromopyridin-2-amine;2-(3,6-dihydro-2H-pyran-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;5-(oxan-4-yl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine;pyrimidin-2-ylmethanamine is sourced from PubChem (CID 158565426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).