2-amino-4-tert-butylbenzoic acid;2-amino-4-tert-butyl-N-[2-tert-butyl-3-[8-(tert-butylamino)imidazo[1,2-a]pyrazin-6-yl]phenyl]benzamide;6-(3-amino-2-tert-butylphenyl)-N-tert-butylimidazo[1,2-a]pyrazin-8-amine;6-bromo-N-tert-butylimidazo[1,2-a]pyrazin-8-amine;7-tert-butyl-3-[2-tert-butyl-3-[8-(tert-butylamino)imidazo[1,2-a]pyrazin-6-yl]phenyl]quinazolin-4-one;2-tert-butyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline

C120H159BBrN23O6 — CID 161076201

About 2-amino-4-tert-butylbenzoic acid;2-amino-4-tert-butyl-N-[2-tert-butyl-3-[8-(tert-butylamino)imidazo[1,2-a]pyrazin-6-yl]phenyl]benzamide;6-(3-amino-2-tert-butylphenyl)-N-tert-butylimidazo[1,2-a]pyrazin-8-amine;6-bromo-N-tert-butylimidazo[1,2-a]pyrazin-8-amine;7-tert-butyl-3-[2-tert-butyl-3-[8-(tert-butylamino)imidazo[1,2-a]pyrazin-6-yl]phenyl]quinazolin-4-one;2-tert-butyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline

2-amino-4-tert-butylbenzoic acid;2-amino-4-tert-butyl-N-[2-tert-butyl-3-[8-(tert-butylamino)imidazo[1,2-a]pyrazin-6-yl]phenyl]benzamide;6-(3-amino-2-tert-butylphenyl)-N-tert-butylimidazo[1,2-a]pyrazin-8-amine;6-bromo-N-tert-butylimidazo[1,2-a]pyrazin-8-amine;7-tert-butyl-3-[2-tert-butyl-3-[8-(tert-butylamino)imidazo[1,2-a]pyrazin-6-yl]phenyl]quinazolin-4-one;2-tert-butyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline (PubChem CID 161076201) has the molecular formula C120H159BBrN23O6 and a molecular weight of 2110.46 g/mol. Its IUPAC name is 2-amino-4-tert-butylbenzoic acid;2-amino-4-tert-butyl-N-[2-tert-butyl-3-[8-(tert-butylamino)imidazo[1,2-a]pyrazin-6-yl]phenyl]benzamide;6-(3-amino-2-tert-butylphenyl)-N-tert-butylimidazo[1,2-a]pyrazin-8-amine;6-bromo-N-tert-butylimidazo[1,2-a]pyrazin-8-amine;7-tert-butyl-3-[2-tert-butyl-3-[8-(tert-butylamino)imidazo[1,2-a]pyrazin-6-yl]phenyl]quinazolin-4-one;2-tert-butyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline.

Molecular Properties

• Compound Name: 2-amino-4-tert-butylbenzoic acid;2-amino-4-tert-butyl-N-[2-tert-butyl-3-[8-(tert-butylamino)imidazo[1,2-a]pyrazin-6-yl]phenyl]benzamide;6-(3-amino-2-tert-butylphenyl)-N-tert-butylimidazo[1,2-a]pyrazin-8-amine;6-bromo-N-tert-butylimidazo[1,2-a]pyrazin-8-amine;7-tert-butyl-3-[2-tert-butyl-3-[8-(tert-butylamino)imidazo[1,2-a]pyrazin-6-yl]phenyl]quinazolin-4-one;2-tert-butyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
• PubChem CID: 161076201
• Molecular Formula: C120H159BBrN23O6
• Molecular Weight: 2110.46 g/mol
• Exact Mass: 2108.21
• IUPAC Name: 2-amino-4-tert-butylbenzoic acid;2-amino-4-tert-butyl-N-[2-tert-butyl-3-[8-(tert-butylamino)imidazo[1,2-a]pyrazin-6-yl]phenyl]benzamide;6-(3-amino-2-tert-butylphenyl)-N-tert-butylimidazo[1,2-a]pyrazin-8-amine;6-bromo-N-tert-butylimidazo[1,2-a]pyrazin-8-amine;7-tert-butyl-3-[2-tert-butyl-3-[8-(tert-butylamino)imidazo[1,2-a]pyrazin-6-yl]phenyl]quinazolin-4-one;2-tert-butyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
• SMILES: CC(C)(C)Nc1nc(-c2cccc(-n3cnc4cc(C(C)(C)C)ccc4c3=O)c2C(C)(C)C)cn2ccnc12.CC(C)(C)Nc1nc(-c2cccc(N)c2C(C)(C)C)cn2ccnc12.CC(C)(C)Nc1nc(-c2cccc(NC(=O)c3ccc(C(C)(C)C)cc3N)c2C(C)(C)C)cn2ccnc12.CC(C)(C)Nc1nc(Br)cn2ccnc12.CC(C)(C)c1c(N)cccc1B1OC(C)(C)C(C)(C)O1.CC(C)(C)c1ccc(C(=O)O)c(N)c1
• InChI: InChI=1S/C32H38N6O.C31H40N6O.C20H27N5.C16H26BNO2.C11H15NO2.C10H13BrN4/c1-30(2,3)20-13-14-22-23(17-20)34-19-38(29(22)39)25-12-10-11-21(26(25)31(4,5)6)24-18-37-16-15-33-28(37)27(35-24)36-32(7,8)9;1-29(2,3)19-13-14-20(22(32)17-19)28(38)35-23-12-10-11-21(25(23)30(4,5)6)24-18-37-16-15-33-27(37)26(34-24)36-31(7,8)9;1-19(2,3)16-13(8-7-9-14(16)21)15-12-25-11-10-22-18(25)17(23-15)24-20(4,5)6;1-14(2,3)13-11(9-8-10-12(13)18)17-19-15(4,5)16(6,7)20-17;1-11(2,3)7-4-5-8(10(13)14)9(12)6-7;1-10(2,3)14-8-9-12-4-5-15(9)6-7(11)13-8/h10-19H,1-9H3,(H,35,36);10-18H,32H2,1-9H3,(H,34,36)(H,35,38);7-12H,21H2,1-6H3,(H,23,24);8-10H,18H2,1-7H3;4-6H,12H2,1-3H3,(H,13,14);4-6H,1-3H3,(H,13,14)
• InChIKey: UFHRKFSHHCILBT-UHFFFAOYSA-N
• XLogP: 26.26
• TPSA: 392.71 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 27
• Rotatable Bonds: 12
• Heavy Atoms: 151
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2110.46
LogP ≤ 5	26.26
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-tert-butylbenzoic acid;2-amino-4-tert-butyl-N-[2-tert-butyl-3-[8-(tert-butylamino)imidazo[1,2-a]pyrazin-6-yl]phenyl]benzamide;6-(3-amino-2-tert-butylphenyl)-N-tert-butylimidazo[1,2-a]pyrazin-8-amine;6-bromo-N-tert-butylimidazo[1,2-a]pyrazin-8-amine;7-tert-butyl-3-[2-tert-butyl-3-[8-(tert-butylamino)imidazo[1,2-a]pyrazin-6-yl]phenyl]quinazolin-4-one;2-tert-butyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline?

The IUPAC name of 2-amino-4-tert-butylbenzoic acid;2-amino-4-tert-butyl-N-[2-tert-butyl-3-[8-(tert-butylamino)imidazo[1,2-a]pyrazin-6-yl]phenyl]benzamide;6-(3-amino-2-tert-butylphenyl)-N-tert-butylimidazo[1,2-a]pyrazin-8-amine;6-bromo-N-tert-butylimidazo[1,2-a]pyrazin-8-amine;7-tert-butyl-3-[2-tert-butyl-3-[8-(tert-butylamino)imidazo[1,2-a]pyrazin-6-yl]phenyl]quinazolin-4-one;2-tert-butyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline (CID 161076201) is 2-amino-4-tert-butylbenzoic acid;2-amino-4-tert-butyl-N-[2-tert-butyl-3-[8-(tert-butylamino)imidazo[1,2-a]pyrazin-6-yl]phenyl]benzamide;6-(3-amino-2-tert-butylphenyl)-N-tert-butylimidazo[1,2-a]pyrazin-8-amine;6-bromo-N-tert-butylimidazo[1,2-a]pyrazin-8-amine;7-tert-butyl-3-[2-tert-butyl-3-[8-(tert-butylamino)imidazo[1,2-a]pyrazin-6-yl]phenyl]quinazolin-4-one;2-tert-butyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline.

What is the SMILES notation for 2-amino-4-tert-butylbenzoic acid;2-amino-4-tert-butyl-N-[2-tert-butyl-3-[8-(tert-butylamino)imidazo[1,2-a]pyrazin-6-yl]phenyl]benzamide;6-(3-amino-2-tert-butylphenyl)-N-tert-butylimidazo[1,2-a]pyrazin-8-amine;6-bromo-N-tert-butylimidazo[1,2-a]pyrazin-8-amine;7-tert-butyl-3-[2-tert-butyl-3-[8-(tert-butylamino)imidazo[1,2-a]pyrazin-6-yl]phenyl]quinazolin-4-one;2-tert-butyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline?

The canonical SMILES for 2-amino-4-tert-butylbenzoic acid;2-amino-4-tert-butyl-N-[2-tert-butyl-3-[8-(tert-butylamino)imidazo[1,2-a]pyrazin-6-yl]phenyl]benzamide;6-(3-amino-2-tert-butylphenyl)-N-tert-butylimidazo[1,2-a]pyrazin-8-amine;6-bromo-N-tert-butylimidazo[1,2-a]pyrazin-8-amine;7-tert-butyl-3-[2-tert-butyl-3-[8-(tert-butylamino)imidazo[1,2-a]pyrazin-6-yl]phenyl]quinazolin-4-one;2-tert-butyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline is CC(C)(C)Nc1nc(-c2cccc(-n3cnc4cc(C(C)(C)C)ccc4c3=O)c2C(C)(C)C)cn2ccnc12.CC(C)(C)Nc1nc(-c2cccc(N)c2C(C)(C)C)cn2ccnc12.CC(C)(C)Nc1nc(-c2cccc(NC(=O)c3ccc(C(C)(C)C)cc3N)c2C(C)(C)C)cn2ccnc12.CC(C)(C)Nc1nc(Br)cn2ccnc12.CC(C)(C)c1c(N)cccc1B1OC(C)(C)C(C)(C)O1.CC(C)(C)c1ccc(C(=O)O)c(N)c1.

What is the InChIKey of 2-amino-4-tert-butylbenzoic acid;2-amino-4-tert-butyl-N-[2-tert-butyl-3-[8-(tert-butylamino)imidazo[1,2-a]pyrazin-6-yl]phenyl]benzamide;6-(3-amino-2-tert-butylphenyl)-N-tert-butylimidazo[1,2-a]pyrazin-8-amine;6-bromo-N-tert-butylimidazo[1,2-a]pyrazin-8-amine;7-tert-butyl-3-[2-tert-butyl-3-[8-(tert-butylamino)imidazo[1,2-a]pyrazin-6-yl]phenyl]quinazolin-4-one;2-tert-butyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline?

The InChIKey is UFHRKFSHHCILBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H38N6O.C31H40N6O.C20H27N5.C16H26BNO2.C11H15NO2.C10H13BrN4/c1-30(2,3)20-13-14-22-23(17-20)34-19-38(29(22)39)25-12-10-11-21(26(25)31(4,5)6)24-18-37-16-15-33-28(37)27(35-24)36-32(7,8)9;1-29(2,3)19-13-14-20(22(32)17-19)28(38)35-23-12-10-11-21(25(23)30(4,5)6)24-18-37-16-15-33-27(37)26(34-24)36-31(7,8)9;1-19(2,3)16-13(8-7-9-14(16)21)15-12-25-11-10-22-18(25)17(23-15)24-20(4,5)6;1-14(2,3)13-11(9-8-10-12(13)18)17-19-15(4,5)16(6,7)20-17;1-11(2,3)7-4-5-8(10(13)14)9(12)6-7;1-10(2,3)14-8-9-12-4-5-15(9)6-7(11)13-8/h10-19H,1-9H3,(H,35,36);10-18H,32H2,1-9H3,(H,34,36)(H,35,38);7-12H,21H2,1-6H3,(H,23,24);8-10H,18H2,1-7H3;4-6H,12H2,1-3H3,(H,13,14);4-6H,1-3H3,(H,13,14).

What are the key properties of 2-amino-4-tert-butylbenzoic acid;2-amino-4-tert-butyl-N-[2-tert-butyl-3-[8-(tert-butylamino)imidazo[1,2-a]pyrazin-6-yl]phenyl]benzamide;6-(3-amino-2-tert-butylphenyl)-N-tert-butylimidazo[1,2-a]pyrazin-8-amine;6-bromo-N-tert-butylimidazo[1,2-a]pyrazin-8-amine;7-tert-butyl-3-[2-tert-butyl-3-[8-(tert-butylamino)imidazo[1,2-a]pyrazin-6-yl]phenyl]quinazolin-4-one;2-tert-butyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline?

2-amino-4-tert-butylbenzoic acid;2-amino-4-tert-butyl-N-[2-tert-butyl-3-[8-(tert-butylamino)imidazo[1,2-a]pyrazin-6-yl]phenyl]benzamide;6-(3-amino-2-tert-butylphenyl)-N-tert-butylimidazo[1,2-a]pyrazin-8-amine;6-bromo-N-tert-butylimidazo[1,2-a]pyrazin-8-amine;7-tert-butyl-3-[2-tert-butyl-3-[8-(tert-butylamino)imidazo[1,2-a]pyrazin-6-yl]phenyl]quinazolin-4-one;2-tert-butyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline has a molecular weight of 2110.46 g/mol, XLogP of 26.26, 12 rotatable bonds, 10 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-4-tert-butylbenzoic acid;2-amino-4-tert-butyl-N-[2-tert-butyl-3-[8-(tert-butylamino)imidazo[1,2-a]pyrazin-6-yl]phenyl]benzamide;6-(3-amino-2-tert-butylphenyl)-N-tert-butylimidazo[1,2-a]pyrazin-8-amine;6-bromo-N-tert-butylimidazo[1,2-a]pyrazin-8-amine;7-tert-butyl-3-[2-tert-butyl-3-[8-(tert-butylamino)imidazo[1,2-a]pyrazin-6-yl]phenyl]quinazolin-4-one;2-tert-butyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline is sourced from PubChem (CID 161076201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).