tert-butyl N-[(5-bromo-3-methyl-2-pyridinyl)methyl]carbamate;tert-butyl N-[[3-methyl-5-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-pyridinyl]methyl]carbamate;4-chloro-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

C52H74B2BrClN14O8 — CID 157473124

About tert-butyl N-[(5-bromo-3-methyl-2-pyridinyl)methyl]carbamate;tert-butyl N-[[3-methyl-5-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-pyridinyl]methyl]carbamate;4-chloro-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

tert-butyl N-[(5-bromo-3-methyl-2-pyridinyl)methyl]carbamate;tert-butyl N-[[3-methyl-5-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-pyridinyl]methyl]carbamate;4-chloro-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (PubChem CID 157473124) has the molecular formula C52H74B2BrClN14O8 and a molecular weight of 1160.23 g/mol. Its IUPAC name is tert-butyl N-[(5-bromo-3-methyl-2-pyridinyl)methyl]carbamate;tert-butyl N-[[3-methyl-5-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-pyridinyl]methyl]carbamate;4-chloro-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine;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: tert-butyl N-[(5-bromo-3-methyl-2-pyridinyl)methyl]carbamate;tert-butyl N-[[3-methyl-5-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-pyridinyl]methyl]carbamate;4-chloro-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
• PubChem CID: 157473124
• Molecular Formula: C52H74B2BrClN14O8
• Molecular Weight: 1160.23 g/mol
• Exact Mass: 1158.49
• IUPAC Name: tert-butyl N-[(5-bromo-3-methyl-2-pyridinyl)methyl]carbamate;tert-butyl N-[[3-methyl-5-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-pyridinyl]methyl]carbamate;4-chloro-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
• SMILES: CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.Cc1cc(-c2ccnc(Nc3cnn(C)c3)n2)cnc1CNC(=O)OC(C)(C)C.Cc1cc(Br)cnc1CNC(=O)OC(C)(C)C.Cn1cc(Nc2nccc(Cl)n2)cn1
• InChI: InChI=1S/C20H25N7O2.C12H24B2O4.C12H17BrN2O2.C8H8ClN5/c1-13-8-14(9-22-17(13)11-23-19(28)29-20(2,3)4)16-6-7-21-18(26-16)25-15-10-24-27(5)12-15;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;1-8-5-9(13)6-14-10(8)7-15-11(16)17-12(2,3)4;1-14-5-6(4-11-14)12-8-10-3-2-7(9)13-8/h6-10,12H,11H2,1-5H3,(H,23,28)(H,21,25,26);1-8H3;5-6H,7H2,1-4H3,(H,15,16);2-5H,1H3,(H,10,12,13)
• InChIKey: BVGTWFPCRLXYCN-UHFFFAOYSA-N
• XLogP: 10.38
• TPSA: 250.62 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 20
• Rotatable Bonds: 10
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1160.23
LogP ≤ 5	10.38
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(5-bromo-3-methyl-2-pyridinyl)methyl]carbamate;tert-butyl N-[[3-methyl-5-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-pyridinyl]methyl]carbamate;4-chloro-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine;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 tert-butyl N-[(5-bromo-3-methyl-2-pyridinyl)methyl]carbamate;tert-butyl N-[[3-methyl-5-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-pyridinyl]methyl]carbamate;4-chloro-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (CID 157473124) is tert-butyl N-[(5-bromo-3-methyl-2-pyridinyl)methyl]carbamate;tert-butyl N-[[3-methyl-5-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-pyridinyl]methyl]carbamate;4-chloro-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine;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 tert-butyl N-[(5-bromo-3-methyl-2-pyridinyl)methyl]carbamate;tert-butyl N-[[3-methyl-5-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-pyridinyl]methyl]carbamate;4-chloro-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine;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 tert-butyl N-[(5-bromo-3-methyl-2-pyridinyl)methyl]carbamate;tert-butyl N-[[3-methyl-5-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-pyridinyl]methyl]carbamate;4-chloro-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.Cc1cc(-c2ccnc(Nc3cnn(C)c3)n2)cnc1CNC(=O)OC(C)(C)C.Cc1cc(Br)cnc1CNC(=O)OC(C)(C)C.Cn1cc(Nc2nccc(Cl)n2)cn1.

What is the InChIKey of tert-butyl N-[(5-bromo-3-methyl-2-pyridinyl)methyl]carbamate;tert-butyl N-[[3-methyl-5-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-pyridinyl]methyl]carbamate;4-chloro-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

The InChIKey is BVGTWFPCRLXYCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N7O2.C12H24B2O4.C12H17BrN2O2.C8H8ClN5/c1-13-8-14(9-22-17(13)11-23-19(28)29-20(2,3)4)16-6-7-21-18(26-16)25-15-10-24-27(5)12-15;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;1-8-5-9(13)6-14-10(8)7-15-11(16)17-12(2,3)4;1-14-5-6(4-11-14)12-8-10-3-2-7(9)13-8/h6-10,12H,11H2,1-5H3,(H,23,28)(H,21,25,26);1-8H3;5-6H,7H2,1-4H3,(H,15,16);2-5H,1H3,(H,10,12,13).

What are the key properties of tert-butyl N-[(5-bromo-3-methyl-2-pyridinyl)methyl]carbamate;tert-butyl N-[[3-methyl-5-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-pyridinyl]methyl]carbamate;4-chloro-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

tert-butyl N-[(5-bromo-3-methyl-2-pyridinyl)methyl]carbamate;tert-butyl N-[[3-methyl-5-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-pyridinyl]methyl]carbamate;4-chloro-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine;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 1160.23 g/mol, XLogP of 10.38, 10 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[(5-bromo-3-methyl-2-pyridinyl)methyl]carbamate;tert-butyl N-[[3-methyl-5-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-pyridinyl]methyl]carbamate;4-chloro-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine;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 157473124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).