4-aminopyrimidin-5-ol;6-bromo-8-chlorospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;tert-butyl N-(5-hydroxypyrimidin-4-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(5-propan-2-yloxypyrimidin-4-yl)carbamate;8-chloro-6-[(5-propan-2-yloxypyrimidin-4-yl)amino]spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;oxolane;5-propan-2-yloxypyrimidin-4-amine;hydrochloride

C₇₇H₁₀₇BrCl₃N₁₉O₁₈ — CID 159849268

About 4-aminopyrimidin-5-ol;6-bromo-8-chlorospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;tert-butyl N-(5-hydroxypyrimidin-4-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(5-propan-2-yloxypyrimidin-4-yl)carbamate;8-chloro-6-[(5-propan-2-yloxypyrimidin-4-yl)amino]spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;oxolane;5-propan-2-yloxypyrimidin-4-amine;hydrochloride

4-aminopyrimidin-5-ol;6-bromo-8-chlorospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;tert-butyl N-(5-hydroxypyrimidin-4-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(5-propan-2-yloxypyrimidin-4-yl)carbamate;8-chloro-6-[(5-propan-2-yloxypyrimidin-4-yl)amino]spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;oxolane;5-propan-2-yloxypyrimidin-4-amine;hydrochloride (PubChem CID 159849268) has the molecular formula C₇₇H₁₀₇BrCl₃N₁₉O₁₈ and a molecular weight of 1773.08 g/mol. Its IUPAC name is 4-aminopyrimidin-5-ol;6-bromo-8-chlorospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;tert-butyl N-(5-hydroxypyrimidin-4-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(5-propan-2-yloxypyrimidin-4-yl)carbamate;8-chloro-6-[(5-propan-2-yloxypyrimidin-4-yl)amino]spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;oxolane;5-propan-2-yloxypyrimidin-4-amine;hydrochloride.

Molecular Properties

• Compound Name: 4-aminopyrimidin-5-ol;6-bromo-8-chlorospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;tert-butyl N-(5-hydroxypyrimidin-4-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(5-propan-2-yloxypyrimidin-4-yl)carbamate;8-chloro-6-[(5-propan-2-yloxypyrimidin-4-yl)amino]spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;oxolane;5-propan-2-yloxypyrimidin-4-amine;hydrochloride
• PubChem CID: 159849268
• Molecular Formula: C₇₇H₁₀₇BrCl₃N₁₉O₁₈
• Molecular Weight: 1773.08 g/mol
• Exact Mass: 1769.63
• IUPAC Name: 4-aminopyrimidin-5-ol;6-bromo-8-chlorospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;tert-butyl N-(5-hydroxypyrimidin-4-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(5-propan-2-yloxypyrimidin-4-yl)carbamate;8-chloro-6-[(5-propan-2-yloxypyrimidin-4-yl)amino]spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;oxolane;5-propan-2-yloxypyrimidin-4-amine;hydrochloride
• SMILES: C1CCOC1.CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1ncncc1O.CC(C)Oc1cncnc1N.CC(C)Oc1cncnc1N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C.CC(C)Oc1cncnc1Nc1cc(Cl)c2n(c1=O)C1(CCCCC1)NC2=O.Cl.Nc1ncncc1O.O=C1NC2(CCCCC2)n2c1c(Cl)cc(Br)c2=O
• InChI: InChI=1S/C19H22ClN5O3.C17H27N3O5.C14H21N3O5.C12H12BrClN2O2.C7H11N3O.C4H5N3O.C4H8O.ClH/c1-11(2)28-14-9-21-10-22-16(14)23-13-8-12(20)15-17(26)24-19(25(15)18(13)27)6-4-3-5-7-19;1-11(2)23-12-9-18-10-19-13(12)20(14(21)24-16(3,4)5)15(22)25-17(6,7)8;1-13(2,3)21-11(19)17(12(20)22-14(4,5)6)10-9(18)7-15-8-16-10;13-7-6-8(14)9-10(17)15-12(16(9)11(7)18)4-2-1-3-5-12;1-5(2)11-6-3-9-4-10-7(6)8;5-4-3(8)1-6-2-7-4;1-2-4-5-3-1;/h8-11H,3-7H2,1-2H3,(H,24,26)(H,21,22,23);9-11H,1-8H3;7-8,18H,1-6H3;6H,1-5H2,(H,15,17);3-5H,1-2H3,(H2,8,9,10);1-2,8H,(H2,5,6,7);1-4H2;1H
• InChIKey: ZJYZTRVMVAEBIS-UHFFFAOYSA-N
• XLogP: 14.44
• TPSA: 484.23 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 33
• Rotatable Bonds: 10
• Heavy Atoms: 118
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1773.08
LogP ≤ 5	14.44
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-aminopyrimidin-5-ol;6-bromo-8-chlorospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;tert-butyl N-(5-hydroxypyrimidin-4-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(5-propan-2-yloxypyrimidin-4-yl)carbamate;8-chloro-6-[(5-propan-2-yloxypyrimidin-4-yl)amino]spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;oxolane;5-propan-2-yloxypyrimidin-4-amine;hydrochloride?

The IUPAC name of 4-aminopyrimidin-5-ol;6-bromo-8-chlorospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;tert-butyl N-(5-hydroxypyrimidin-4-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(5-propan-2-yloxypyrimidin-4-yl)carbamate;8-chloro-6-[(5-propan-2-yloxypyrimidin-4-yl)amino]spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;oxolane;5-propan-2-yloxypyrimidin-4-amine;hydrochloride (CID 159849268) is 4-aminopyrimidin-5-ol;6-bromo-8-chlorospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;tert-butyl N-(5-hydroxypyrimidin-4-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(5-propan-2-yloxypyrimidin-4-yl)carbamate;8-chloro-6-[(5-propan-2-yloxypyrimidin-4-yl)amino]spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;oxolane;5-propan-2-yloxypyrimidin-4-amine;hydrochloride.

What is the SMILES notation for 4-aminopyrimidin-5-ol;6-bromo-8-chlorospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;tert-butyl N-(5-hydroxypyrimidin-4-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(5-propan-2-yloxypyrimidin-4-yl)carbamate;8-chloro-6-[(5-propan-2-yloxypyrimidin-4-yl)amino]spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;oxolane;5-propan-2-yloxypyrimidin-4-amine;hydrochloride?

The canonical SMILES for 4-aminopyrimidin-5-ol;6-bromo-8-chlorospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;tert-butyl N-(5-hydroxypyrimidin-4-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(5-propan-2-yloxypyrimidin-4-yl)carbamate;8-chloro-6-[(5-propan-2-yloxypyrimidin-4-yl)amino]spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;oxolane;5-propan-2-yloxypyrimidin-4-amine;hydrochloride is C1CCOC1.CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1ncncc1O.CC(C)Oc1cncnc1N.CC(C)Oc1cncnc1N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C.CC(C)Oc1cncnc1Nc1cc(Cl)c2n(c1=O)C1(CCCCC1)NC2=O.Cl.Nc1ncncc1O.O=C1NC2(CCCCC2)n2c1c(Cl)cc(Br)c2=O.

What is the InChIKey of 4-aminopyrimidin-5-ol;6-bromo-8-chlorospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;tert-butyl N-(5-hydroxypyrimidin-4-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(5-propan-2-yloxypyrimidin-4-yl)carbamate;8-chloro-6-[(5-propan-2-yloxypyrimidin-4-yl)amino]spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;oxolane;5-propan-2-yloxypyrimidin-4-amine;hydrochloride?

The InChIKey is ZJYZTRVMVAEBIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN5O3.C17H27N3O5.C14H21N3O5.C12H12BrClN2O2.C7H11N3O.C4H5N3O.C4H8O.ClH/c1-11(2)28-14-9-21-10-22-16(14)23-13-8-12(20)15-17(26)24-19(25(15)18(13)27)6-4-3-5-7-19;1-11(2)23-12-9-18-10-19-13(12)20(14(21)24-16(3,4)5)15(22)25-17(6,7)8;1-13(2,3)21-11(19)17(12(20)22-14(4,5)6)10-9(18)7-15-8-16-10;13-7-6-8(14)9-10(17)15-12(16(9)11(7)18)4-2-1-3-5-12;1-5(2)11-6-3-9-4-10-7(6)8;5-4-3(8)1-6-2-7-4;1-2-4-5-3-1;/h8-11H,3-7H2,1-2H3,(H,24,26)(H,21,22,23);9-11H,1-8H3;7-8,18H,1-6H3;6H,1-5H2,(H,15,17);3-5H,1-2H3,(H2,8,9,10);1-2,8H,(H2,5,6,7);1-4H2;1H.

What are the key properties of 4-aminopyrimidin-5-ol;6-bromo-8-chlorospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;tert-butyl N-(5-hydroxypyrimidin-4-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(5-propan-2-yloxypyrimidin-4-yl)carbamate;8-chloro-6-[(5-propan-2-yloxypyrimidin-4-yl)amino]spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;oxolane;5-propan-2-yloxypyrimidin-4-amine;hydrochloride?

4-aminopyrimidin-5-ol;6-bromo-8-chlorospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;tert-butyl N-(5-hydroxypyrimidin-4-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(5-propan-2-yloxypyrimidin-4-yl)carbamate;8-chloro-6-[(5-propan-2-yloxypyrimidin-4-yl)amino]spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;oxolane;5-propan-2-yloxypyrimidin-4-amine;hydrochloride has a molecular weight of 1773.08 g/mol, XLogP of 14.44, 10 rotatable bonds, 7 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 4-aminopyrimidin-5-ol;6-bromo-8-chlorospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;tert-butyl N-(5-hydroxypyrimidin-4-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(5-propan-2-yloxypyrimidin-4-yl)carbamate;8-chloro-6-[(5-propan-2-yloxypyrimidin-4-yl)amino]spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;oxolane;5-propan-2-yloxypyrimidin-4-amine;hydrochloride is sourced from PubChem (CID 159849268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 159849268 — identifiers, structure, computed properties (public domain)

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