tert-butyl N-[(4-bromo-2-propylphenyl)methyl]carbamate;tert-butyl N-[[4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-propylphenyl]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

C58H84B2BrClN12O8 — CID 161283872

About tert-butyl N-[(4-bromo-2-propylphenyl)methyl]carbamate;tert-butyl N-[[4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-propylphenyl]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-[(4-bromo-2-propylphenyl)methyl]carbamate;tert-butyl N-[[4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-propylphenyl]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 161283872) has the molecular formula C58H84B2BrClN12O8 and a molecular weight of 1214.37 g/mol. Its IUPAC name is tert-butyl N-[(4-bromo-2-propylphenyl)methyl]carbamate;tert-butyl N-[[4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-propylphenyl]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-[(4-bromo-2-propylphenyl)methyl]carbamate;tert-butyl N-[[4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-propylphenyl]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: 161283872
• Molecular Formula: C58H84B2BrClN12O8
• Molecular Weight: 1214.37 g/mol
• Exact Mass: 1212.56
• IUPAC Name: tert-butyl N-[(4-bromo-2-propylphenyl)methyl]carbamate;tert-butyl N-[[4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-propylphenyl]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.CCCc1cc(-c2ccnc(Nc3cnn(C)c3)n2)ccc1CNC(=O)OC(C)(C)C.CCCc1cc(Br)ccc1CNC(=O)OC(C)(C)C.Cn1cc(Nc2nccc(Cl)n2)cn1
• InChI: InChI=1S/C23H30N6O2.C15H22BrNO2.C12H24B2O4.C8H8ClN5/c1-6-7-16-12-17(8-9-18(16)13-25-22(30)31-23(2,3)4)20-10-11-24-21(28-20)27-19-14-26-29(5)15-19;1-5-6-11-9-13(16)8-7-12(11)10-17-14(18)19-15(2,3)4;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;1-14-5-6(4-11-14)12-8-10-3-2-7(9)13-8/h8-12,14-15H,6-7,13H2,1-5H3,(H,25,30)(H,24,27,28);7-9H,5-6,10H2,1-4H3,(H,17,18);1-8H3;2-5H,1H3,(H,10,12,13)
• InChIKey: VFLMPPVFEAJVHL-UHFFFAOYSA-N
• XLogP: 12.88
• TPSA: 224.84 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 18
• Rotatable Bonds: 14
• Heavy Atoms: 82
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1214.37
LogP ≤ 5	12.88
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(4-bromo-2-propylphenyl)methyl]carbamate;tert-butyl N-[[4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-propylphenyl]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-[(4-bromo-2-propylphenyl)methyl]carbamate;tert-butyl N-[[4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-propylphenyl]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 161283872) is tert-butyl N-[(4-bromo-2-propylphenyl)methyl]carbamate;tert-butyl N-[[4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-propylphenyl]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-[(4-bromo-2-propylphenyl)methyl]carbamate;tert-butyl N-[[4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-propylphenyl]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-[(4-bromo-2-propylphenyl)methyl]carbamate;tert-butyl N-[[4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-propylphenyl]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.CCCc1cc(-c2ccnc(Nc3cnn(C)c3)n2)ccc1CNC(=O)OC(C)(C)C.CCCc1cc(Br)ccc1CNC(=O)OC(C)(C)C.Cn1cc(Nc2nccc(Cl)n2)cn1.

What is the InChIKey of tert-butyl N-[(4-bromo-2-propylphenyl)methyl]carbamate;tert-butyl N-[[4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-propylphenyl]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 VFLMPPVFEAJVHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N6O2.C15H22BrNO2.C12H24B2O4.C8H8ClN5/c1-6-7-16-12-17(8-9-18(16)13-25-22(30)31-23(2,3)4)20-10-11-24-21(28-20)27-19-14-26-29(5)15-19;1-5-6-11-9-13(16)8-7-12(11)10-17-14(18)19-15(2,3)4;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;1-14-5-6(4-11-14)12-8-10-3-2-7(9)13-8/h8-12,14-15H,6-7,13H2,1-5H3,(H,25,30)(H,24,27,28);7-9H,5-6,10H2,1-4H3,(H,17,18);1-8H3;2-5H,1H3,(H,10,12,13).

What are the key properties of tert-butyl N-[(4-bromo-2-propylphenyl)methyl]carbamate;tert-butyl N-[[4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-propylphenyl]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-[(4-bromo-2-propylphenyl)methyl]carbamate;tert-butyl N-[[4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-propylphenyl]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 1214.37 g/mol, XLogP of 12.88, 14 rotatable bonds, 4 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[(4-bromo-2-propylphenyl)methyl]carbamate;tert-butyl N-[[4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-propylphenyl]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 161283872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).