5-[(6-amino-5-hydroxypyrimidin-4-yl)amino]-7-methylspiro[2,3a-dihydroisoindole-3,1'-cyclohexane]-1,4-dione;6-[(6-amino-5-hydroxypyrimidin-4-yl)amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;6-amino-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;tert-butyl N-(6-chloro-5-methoxypyrimidin-4-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[5-methoxy-6-[(7-methyl-1,4-dioxospiro[2,3a-dihydroisoindole-3,1'-cyclohexane]-5-yl)amino]pyrimidin-4-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tribromoborane

C92H119BBr3ClN22O20 — CID 163921087

About 5-[(6-amino-5-hydroxypyrimidin-4-yl)amino]-7-methylspiro[2,3a-dihydroisoindole-3,1'-cyclohexane]-1,4-dione;6-[(6-amino-5-hydroxypyrimidin-4-yl)amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;6-amino-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;tert-butyl N-(6-chloro-5-methoxypyrimidin-4-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[5-methoxy-6-[(7-methyl-1,4-dioxospiro[2,3a-dihydroisoindole-3,1'-cyclohexane]-5-yl)amino]pyrimidin-4-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tribromoborane

5-[(6-amino-5-hydroxypyrimidin-4-yl)amino]-7-methylspiro[2,3a-dihydroisoindole-3,1'-cyclohexane]-1,4-dione;6-[(6-amino-5-hydroxypyrimidin-4-yl)amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;6-amino-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;tert-butyl N-(6-chloro-5-methoxypyrimidin-4-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[5-methoxy-6-[(7-methyl-1,4-dioxospiro[2,3a-dihydroisoindole-3,1'-cyclohexane]-5-yl)amino]pyrimidin-4-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tribromoborane (PubChem CID 163921087) has the molecular formula C92H119BBr3ClN22O20 and a molecular weight of 2139.07 g/mol. Its IUPAC name is 5-[(6-amino-5-hydroxypyrimidin-4-yl)amino]-7-methylspiro[2,3a-dihydroisoindole-3,1'-cyclohexane]-1,4-dione;6-[(6-amino-5-hydroxypyrimidin-4-yl)amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;6-amino-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;tert-butyl N-(6-chloro-5-methoxypyrimidin-4-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[5-methoxy-6-[(7-methyl-1,4-dioxospiro[2,3a-dihydroisoindole-3,1'-cyclohexane]-5-yl)amino]pyrimidin-4-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tribromoborane.

Molecular Properties

• Compound Name: 5-[(6-amino-5-hydroxypyrimidin-4-yl)amino]-7-methylspiro[2,3a-dihydroisoindole-3,1'-cyclohexane]-1,4-dione;6-[(6-amino-5-hydroxypyrimidin-4-yl)amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;6-amino-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;tert-butyl N-(6-chloro-5-methoxypyrimidin-4-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[5-methoxy-6-[(7-methyl-1,4-dioxospiro[2,3a-dihydroisoindole-3,1'-cyclohexane]-5-yl)amino]pyrimidin-4-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tribromoborane
• PubChem CID: 163921087
• Molecular Formula: C92H119BBr3ClN22O20
• Molecular Weight: 2139.07 g/mol
• Exact Mass: 2134.63
• IUPAC Name: 5-[(6-amino-5-hydroxypyrimidin-4-yl)amino]-7-methylspiro[2,3a-dihydroisoindole-3,1'-cyclohexane]-1,4-dione;6-[(6-amino-5-hydroxypyrimidin-4-yl)amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;6-amino-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;tert-butyl N-(6-chloro-5-methoxypyrimidin-4-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[5-methoxy-6-[(7-methyl-1,4-dioxospiro[2,3a-dihydroisoindole-3,1'-cyclohexane]-5-yl)amino]pyrimidin-4-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tribromoborane
• SMILES: BrB(Br)Br.CC1=C2C(=O)NC3(CCCCC3)C2C(=O)C(Nc2ncnc(N)c2O)=C1.COc1c(Cl)ncnc1N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C.COc1c(NC2=CC(C)=C3C(=O)NC4(CCCCC4)C3C2=O)ncnc1N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C.Cc1cc(N)c(=O)n2c1C(=O)NC21CCCCC1.Cc1cc(Nc2ncnc(N)c2O)c(=O)n2c1C(=O)NC21CCCCC1
• InChI: InChI=1S/C29H39N5O7.C18H21N5O3.C17H20N6O3.C15H22ClN3O5.C13H17N3O2.BBr3/c1-16-14-17(20(35)19-18(16)24(36)33-29(19)12-10-9-11-13-29)32-22-21(39-8)23(31-15-30-22)34(25(37)40-27(2,3)4)26(38)41-28(5,6)7;1-9-7-10(22-16-14(25)15(19)20-8-21-16)13(24)12-11(9)17(26)23-18(12)5-3-2-4-6-18;1-9-7-10(21-14-12(24)13(18)19-8-20-14)16(26)23-11(9)15(25)22-17(23)5-3-2-4-6-17;1-14(2,3)23-12(20)19(13(21)24-15(4,5)6)11-9(22-7)10(16)17-8-18-11;1-8-7-9(14)12(18)16-10(8)11(17)15-13(16)5-3-2-4-6-13;2-1(3)4/h14-15,19H,9-13H2,1-8H3,(H,33,36)(H,30,31,32);7-8,12,25H,2-6H2,1H3,(H,23,26)(H3,19,20,21,22);7-8,24H,2-6H2,1H3,(H,22,25)(H3,18,19,20,21);8H,1-7H3;7H,2-6,14H2,1H3,(H,15,17)
• InChIKey: RALSDLSRYZVFOV-UHFFFAOYSA-N
• XLogP: 14.62
• TPSA: 582.41 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 36
• Rotatable Bonds: 10
• Heavy Atoms: 139
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2139.07
LogP ≤ 5	14.62
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[(6-amino-5-hydroxypyrimidin-4-yl)amino]-7-methylspiro[2,3a-dihydroisoindole-3,1'-cyclohexane]-1,4-dione;6-[(6-amino-5-hydroxypyrimidin-4-yl)amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;6-amino-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;tert-butyl N-(6-chloro-5-methoxypyrimidin-4-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[5-methoxy-6-[(7-methyl-1,4-dioxospiro[2,3a-dihydroisoindole-3,1'-cyclohexane]-5-yl)amino]pyrimidin-4-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tribromoborane?

The IUPAC name of 5-[(6-amino-5-hydroxypyrimidin-4-yl)amino]-7-methylspiro[2,3a-dihydroisoindole-3,1'-cyclohexane]-1,4-dione;6-[(6-amino-5-hydroxypyrimidin-4-yl)amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;6-amino-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;tert-butyl N-(6-chloro-5-methoxypyrimidin-4-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[5-methoxy-6-[(7-methyl-1,4-dioxospiro[2,3a-dihydroisoindole-3,1'-cyclohexane]-5-yl)amino]pyrimidin-4-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tribromoborane (CID 163921087) is 5-[(6-amino-5-hydroxypyrimidin-4-yl)amino]-7-methylspiro[2,3a-dihydroisoindole-3,1'-cyclohexane]-1,4-dione;6-[(6-amino-5-hydroxypyrimidin-4-yl)amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;6-amino-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;tert-butyl N-(6-chloro-5-methoxypyrimidin-4-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[5-methoxy-6-[(7-methyl-1,4-dioxospiro[2,3a-dihydroisoindole-3,1'-cyclohexane]-5-yl)amino]pyrimidin-4-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tribromoborane.

What is the SMILES notation for 5-[(6-amino-5-hydroxypyrimidin-4-yl)amino]-7-methylspiro[2,3a-dihydroisoindole-3,1'-cyclohexane]-1,4-dione;6-[(6-amino-5-hydroxypyrimidin-4-yl)amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;6-amino-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;tert-butyl N-(6-chloro-5-methoxypyrimidin-4-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[5-methoxy-6-[(7-methyl-1,4-dioxospiro[2,3a-dihydroisoindole-3,1'-cyclohexane]-5-yl)amino]pyrimidin-4-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tribromoborane?

The canonical SMILES for 5-[(6-amino-5-hydroxypyrimidin-4-yl)amino]-7-methylspiro[2,3a-dihydroisoindole-3,1'-cyclohexane]-1,4-dione;6-[(6-amino-5-hydroxypyrimidin-4-yl)amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;6-amino-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;tert-butyl N-(6-chloro-5-methoxypyrimidin-4-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[5-methoxy-6-[(7-methyl-1,4-dioxospiro[2,3a-dihydroisoindole-3,1'-cyclohexane]-5-yl)amino]pyrimidin-4-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tribromoborane is BrB(Br)Br.CC1=C2C(=O)NC3(CCCCC3)C2C(=O)C(Nc2ncnc(N)c2O)=C1.COc1c(Cl)ncnc1N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C.COc1c(NC2=CC(C)=C3C(=O)NC4(CCCCC4)C3C2=O)ncnc1N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C.Cc1cc(N)c(=O)n2c1C(=O)NC21CCCCC1.Cc1cc(Nc2ncnc(N)c2O)c(=O)n2c1C(=O)NC21CCCCC1.

What is the InChIKey of 5-[(6-amino-5-hydroxypyrimidin-4-yl)amino]-7-methylspiro[2,3a-dihydroisoindole-3,1'-cyclohexane]-1,4-dione;6-[(6-amino-5-hydroxypyrimidin-4-yl)amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;6-amino-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;tert-butyl N-(6-chloro-5-methoxypyrimidin-4-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[5-methoxy-6-[(7-methyl-1,4-dioxospiro[2,3a-dihydroisoindole-3,1'-cyclohexane]-5-yl)amino]pyrimidin-4-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tribromoborane?

The InChIKey is RALSDLSRYZVFOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H39N5O7.C18H21N5O3.C17H20N6O3.C15H22ClN3O5.C13H17N3O2.BBr3/c1-16-14-17(20(35)19-18(16)24(36)33-29(19)12-10-9-11-13-29)32-22-21(39-8)23(31-15-30-22)34(25(37)40-27(2,3)4)26(38)41-28(5,6)7;1-9-7-10(22-16-14(25)15(19)20-8-21-16)13(24)12-11(9)17(26)23-18(12)5-3-2-4-6-18;1-9-7-10(21-14-12(24)13(18)19-8-20-14)16(26)23-11(9)15(25)22-17(23)5-3-2-4-6-17;1-14(2,3)23-12(20)19(13(21)24-15(4,5)6)11-9(22-7)10(16)17-8-18-11;1-8-7-9(14)12(18)16-10(8)11(17)15-13(16)5-3-2-4-6-13;2-1(3)4/h14-15,19H,9-13H2,1-8H3,(H,33,36)(H,30,31,32);7-8,12,25H,2-6H2,1H3,(H,23,26)(H3,19,20,21,22);7-8,24H,2-6H2,1H3,(H,22,25)(H3,18,19,20,21);8H,1-7H3;7H,2-6,14H2,1H3,(H,15,17);.

What are the key properties of 5-[(6-amino-5-hydroxypyrimidin-4-yl)amino]-7-methylspiro[2,3a-dihydroisoindole-3,1'-cyclohexane]-1,4-dione;6-[(6-amino-5-hydroxypyrimidin-4-yl)amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;6-amino-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;tert-butyl N-(6-chloro-5-methoxypyrimidin-4-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[5-methoxy-6-[(7-methyl-1,4-dioxospiro[2,3a-dihydroisoindole-3,1'-cyclohexane]-5-yl)amino]pyrimidin-4-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tribromoborane?

5-[(6-amino-5-hydroxypyrimidin-4-yl)amino]-7-methylspiro[2,3a-dihydroisoindole-3,1'-cyclohexane]-1,4-dione;6-[(6-amino-5-hydroxypyrimidin-4-yl)amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;6-amino-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;tert-butyl N-(6-chloro-5-methoxypyrimidin-4-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[5-methoxy-6-[(7-methyl-1,4-dioxospiro[2,3a-dihydroisoindole-3,1'-cyclohexane]-5-yl)amino]pyrimidin-4-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tribromoborane has a molecular weight of 2139.07 g/mol, XLogP of 14.62, 10 rotatable bonds, 12 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(6-amino-5-hydroxypyrimidin-4-yl)amino]-7-methylspiro[2,3a-dihydroisoindole-3,1'-cyclohexane]-1,4-dione;6-[(6-amino-5-hydroxypyrimidin-4-yl)amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;6-amino-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;tert-butyl N-(6-chloro-5-methoxypyrimidin-4-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[5-methoxy-6-[(7-methyl-1,4-dioxospiro[2,3a-dihydroisoindole-3,1'-cyclohexane]-5-yl)amino]pyrimidin-4-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tribromoborane is sourced from PubChem (CID 163921087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).