5-(2-amino-5-ethynylpyrimidin-4-yl)-2-(5-chloro-2-methylphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrole-3-carboxylic acid;ethyl 5-(2-amino-5-iodopyrimidin-4-yl)-2-(5-chloro-2-methylphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrole-3-carboxylate;ethyl 5-(2-aminopyrimidin-4-yl)-2-(5-chloro-2-methylphenyl)-1H-pyrrole-3-carboxylate;ethyl 5-(2-aminopyrimidin-4-yl)-2-(5-chloro-2-methylphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrole-3-carboxylate;ethyl 5-[2-amino-5-(2-trimethylsilylethynyl)pyrimidin-4-yl]-2-(5-chloro-2-methylphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrole-3-carboxylate

C119H144Cl5IN20O14Si5 — CID 157208993

About 5-(2-amino-5-ethynylpyrimidin-4-yl)-2-(5-chloro-2-methylphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrole-3-carboxylic acid;ethyl 5-(2-amino-5-iodopyrimidin-4-yl)-2-(5-chloro-2-methylphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrole-3-carboxylate;ethyl 5-(2-aminopyrimidin-4-yl)-2-(5-chloro-2-methylphenyl)-1H-pyrrole-3-carboxylate;ethyl 5-(2-aminopyrimidin-4-yl)-2-(5-chloro-2-methylphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrole-3-carboxylate;ethyl 5-[2-amino-5-(2-trimethylsilylethynyl)pyrimidin-4-yl]-2-(5-chloro-2-methylphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrole-3-carboxylate

5-(2-amino-5-ethynylpyrimidin-4-yl)-2-(5-chloro-2-methylphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrole-3-carboxylic acid;ethyl 5-(2-amino-5-iodopyrimidin-4-yl)-2-(5-chloro-2-methylphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrole-3-carboxylate;ethyl 5-(2-aminopyrimidin-4-yl)-2-(5-chloro-2-methylphenyl)-1H-pyrrole-3-carboxylate;ethyl 5-(2-aminopyrimidin-4-yl)-2-(5-chloro-2-methylphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrole-3-carboxylate;ethyl 5-[2-amino-5-(2-trimethylsilylethynyl)pyrimidin-4-yl]-2-(5-chloro-2-methylphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrole-3-carboxylate (PubChem CID 157208993) has the molecular formula C119H144Cl5IN20O14Si5 and a molecular weight of 2523.19 g/mol. Its IUPAC name is 5-(2-amino-5-ethynylpyrimidin-4-yl)-2-(5-chloro-2-methylphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrole-3-carboxylic acid;ethyl 5-(2-amino-5-iodopyrimidin-4-yl)-2-(5-chloro-2-methylphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrole-3-carboxylate;ethyl 5-(2-aminopyrimidin-4-yl)-2-(5-chloro-2-methylphenyl)-1H-pyrrole-3-carboxylate;ethyl 5-(2-aminopyrimidin-4-yl)-2-(5-chloro-2-methylphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrole-3-carboxylate;ethyl 5-[2-amino-5-(2-trimethylsilylethynyl)pyrimidin-4-yl]-2-(5-chloro-2-methylphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrole-3-carboxylate.

Molecular Properties

• Compound Name: 5-(2-amino-5-ethynylpyrimidin-4-yl)-2-(5-chloro-2-methylphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrole-3-carboxylic acid;ethyl 5-(2-amino-5-iodopyrimidin-4-yl)-2-(5-chloro-2-methylphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrole-3-carboxylate;ethyl 5-(2-aminopyrimidin-4-yl)-2-(5-chloro-2-methylphenyl)-1H-pyrrole-3-carboxylate;ethyl 5-(2-aminopyrimidin-4-yl)-2-(5-chloro-2-methylphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrole-3-carboxylate;ethyl 5-[2-amino-5-(2-trimethylsilylethynyl)pyrimidin-4-yl]-2-(5-chloro-2-methylphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrole-3-carboxylate
• PubChem CID: 157208993
• Molecular Formula: C119H144Cl5IN20O14Si5
• Molecular Weight: 2523.19 g/mol
• Exact Mass: 2518.75
• IUPAC Name: 5-(2-amino-5-ethynylpyrimidin-4-yl)-2-(5-chloro-2-methylphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrole-3-carboxylic acid;ethyl 5-(2-amino-5-iodopyrimidin-4-yl)-2-(5-chloro-2-methylphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrole-3-carboxylate;ethyl 5-(2-aminopyrimidin-4-yl)-2-(5-chloro-2-methylphenyl)-1H-pyrrole-3-carboxylate;ethyl 5-(2-aminopyrimidin-4-yl)-2-(5-chloro-2-methylphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrole-3-carboxylate;ethyl 5-[2-amino-5-(2-trimethylsilylethynyl)pyrimidin-4-yl]-2-(5-chloro-2-methylphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrole-3-carboxylate
• SMILES: C#Cc1cnc(N)nc1-c1cc(C(=O)O)c(-c2cc(Cl)ccc2C)n1COCC[Si](C)(C)C.CCOC(=O)c1cc(-c2ccnc(N)n2)[nH]c1-c1cc(Cl)ccc1C.CCOC(=O)c1cc(-c2ccnc(N)n2)n(COCC[Si](C)(C)C)c1-c1cc(Cl)ccc1C.CCOC(=O)c1cc(-c2nc(N)ncc2C#C[Si](C)(C)C)n(COCC[Si](C)(C)C)c1-c1cc(Cl)ccc1C.CCOC(=O)c1cc(-c2nc(N)ncc2I)n(COCC[Si](C)(C)C)c1-c1cc(Cl)ccc1C
• InChI: InChI=1S/C29H39ClN4O3Si2.C24H30ClIN4O3Si.C24H27ClN4O3Si.C24H31ClN4O3Si.C18H17ClN4O2/c1-9-37-28(35)24-17-25(26-21(12-14-38(3,4)5)18-32-29(31)33-26)34(19-36-13-15-39(6,7)8)27(24)23-16-22(30)11-10-20(23)2;1-6-33-23(31)18-12-20(21-19(26)13-28-24(27)29-21)30(14-32-9-10-34(3,4)5)22(18)17-11-16(25)8-7-15(17)2;1-6-16-13-27-24(26)28-21(16)20-12-19(23(30)31)22(18-11-17(25)8-7-15(18)2)29(20)14-32-9-10-33(3,4)5;1-6-32-23(30)19-14-21(20-9-10-27-24(26)28-20)29(15-31-11-12-33(3,4)5)22(19)18-13-17(25)8-7-16(18)2;1-3-25-17(24)13-9-15(14-6-7-21-18(20)23-14)22-16(13)12-8-11(19)5-4-10(12)2/h10-11,16-18H,9,13,15,19H2,1-8H3,(H2,31,32,33);7-8,11-13H,6,9-10,14H2,1-5H3,(H2,27,28,29);1,7-8,11-13H,9-10,14H2,2-5H3,(H,30,31)(H2,26,27,28);7-10,13-14H,6,11-12,15H2,1-5H3,(H2,26,27,28);4-9,22H,3H2,1-2H3,(H2,20,21,23)
• InChIKey: ARRGICUWJRTAHL-UHFFFAOYSA-N
• XLogP: 27.78
• TPSA: 473.93 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 32
• Rotatable Bonds: 39
• Heavy Atoms: 164
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2523.19
LogP ≤ 5	27.78
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-(2-amino-5-ethynylpyrimidin-4-yl)-2-(5-chloro-2-methylphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrole-3-carboxylic acid;ethyl 5-(2-amino-5-iodopyrimidin-4-yl)-2-(5-chloro-2-methylphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrole-3-carboxylate;ethyl 5-(2-aminopyrimidin-4-yl)-2-(5-chloro-2-methylphenyl)-1H-pyrrole-3-carboxylate;ethyl 5-(2-aminopyrimidin-4-yl)-2-(5-chloro-2-methylphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrole-3-carboxylate;ethyl 5-[2-amino-5-(2-trimethylsilylethynyl)pyrimidin-4-yl]-2-(5-chloro-2-methylphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrole-3-carboxylate?

The IUPAC name of 5-(2-amino-5-ethynylpyrimidin-4-yl)-2-(5-chloro-2-methylphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrole-3-carboxylic acid;ethyl 5-(2-amino-5-iodopyrimidin-4-yl)-2-(5-chloro-2-methylphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrole-3-carboxylate;ethyl 5-(2-aminopyrimidin-4-yl)-2-(5-chloro-2-methylphenyl)-1H-pyrrole-3-carboxylate;ethyl 5-(2-aminopyrimidin-4-yl)-2-(5-chloro-2-methylphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrole-3-carboxylate;ethyl 5-[2-amino-5-(2-trimethylsilylethynyl)pyrimidin-4-yl]-2-(5-chloro-2-methylphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrole-3-carboxylate (CID 157208993) is 5-(2-amino-5-ethynylpyrimidin-4-yl)-2-(5-chloro-2-methylphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrole-3-carboxylic acid;ethyl 5-(2-amino-5-iodopyrimidin-4-yl)-2-(5-chloro-2-methylphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrole-3-carboxylate;ethyl 5-(2-aminopyrimidin-4-yl)-2-(5-chloro-2-methylphenyl)-1H-pyrrole-3-carboxylate;ethyl 5-(2-aminopyrimidin-4-yl)-2-(5-chloro-2-methylphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrole-3-carboxylate;ethyl 5-[2-amino-5-(2-trimethylsilylethynyl)pyrimidin-4-yl]-2-(5-chloro-2-methylphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrole-3-carboxylate.

What is the SMILES notation for 5-(2-amino-5-ethynylpyrimidin-4-yl)-2-(5-chloro-2-methylphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrole-3-carboxylic acid;ethyl 5-(2-amino-5-iodopyrimidin-4-yl)-2-(5-chloro-2-methylphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrole-3-carboxylate;ethyl 5-(2-aminopyrimidin-4-yl)-2-(5-chloro-2-methylphenyl)-1H-pyrrole-3-carboxylate;ethyl 5-(2-aminopyrimidin-4-yl)-2-(5-chloro-2-methylphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrole-3-carboxylate;ethyl 5-[2-amino-5-(2-trimethylsilylethynyl)pyrimidin-4-yl]-2-(5-chloro-2-methylphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrole-3-carboxylate?

The canonical SMILES for 5-(2-amino-5-ethynylpyrimidin-4-yl)-2-(5-chloro-2-methylphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrole-3-carboxylic acid;ethyl 5-(2-amino-5-iodopyrimidin-4-yl)-2-(5-chloro-2-methylphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrole-3-carboxylate;ethyl 5-(2-aminopyrimidin-4-yl)-2-(5-chloro-2-methylphenyl)-1H-pyrrole-3-carboxylate;ethyl 5-(2-aminopyrimidin-4-yl)-2-(5-chloro-2-methylphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrole-3-carboxylate;ethyl 5-[2-amino-5-(2-trimethylsilylethynyl)pyrimidin-4-yl]-2-(5-chloro-2-methylphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrole-3-carboxylate is C#Cc1cnc(N)nc1-c1cc(C(=O)O)c(-c2cc(Cl)ccc2C)n1COCC[Si](C)(C)C.CCOC(=O)c1cc(-c2ccnc(N)n2)[nH]c1-c1cc(Cl)ccc1C.CCOC(=O)c1cc(-c2ccnc(N)n2)n(COCC[Si](C)(C)C)c1-c1cc(Cl)ccc1C.CCOC(=O)c1cc(-c2nc(N)ncc2C#C[Si](C)(C)C)n(COCC[Si](C)(C)C)c1-c1cc(Cl)ccc1C.CCOC(=O)c1cc(-c2nc(N)ncc2I)n(COCC[Si](C)(C)C)c1-c1cc(Cl)ccc1C.

What is the InChIKey of 5-(2-amino-5-ethynylpyrimidin-4-yl)-2-(5-chloro-2-methylphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrole-3-carboxylic acid;ethyl 5-(2-amino-5-iodopyrimidin-4-yl)-2-(5-chloro-2-methylphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrole-3-carboxylate;ethyl 5-(2-aminopyrimidin-4-yl)-2-(5-chloro-2-methylphenyl)-1H-pyrrole-3-carboxylate;ethyl 5-(2-aminopyrimidin-4-yl)-2-(5-chloro-2-methylphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrole-3-carboxylate;ethyl 5-[2-amino-5-(2-trimethylsilylethynyl)pyrimidin-4-yl]-2-(5-chloro-2-methylphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrole-3-carboxylate?

The InChIKey is ARRGICUWJRTAHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H39ClN4O3Si2.C24H30ClIN4O3Si.C24H27ClN4O3Si.C24H31ClN4O3Si.C18H17ClN4O2/c1-9-37-28(35)24-17-25(26-21(12-14-38(3,4)5)18-32-29(31)33-26)34(19-36-13-15-39(6,7)8)27(24)23-16-22(30)11-10-20(23)2;1-6-33-23(31)18-12-20(21-19(26)13-28-24(27)29-21)30(14-32-9-10-34(3,4)5)22(18)17-11-16(25)8-7-15(17)2;1-6-16-13-27-24(26)28-21(16)20-12-19(23(30)31)22(18-11-17(25)8-7-15(18)2)29(20)14-32-9-10-33(3,4)5;1-6-32-23(30)19-14-21(20-9-10-27-24(26)28-20)29(15-31-11-12-33(3,4)5)22(19)18-13-17(25)8-7-16(18)2;1-3-25-17(24)13-9-15(14-6-7-21-18(20)23-14)22-16(13)12-8-11(19)5-4-10(12)2/h10-11,16-18H,9,13,15,19H2,1-8H3,(H2,31,32,33);7-8,11-13H,6,9-10,14H2,1-5H3,(H2,27,28,29);1,7-8,11-13H,9-10,14H2,2-5H3,(H,30,31)(H2,26,27,28);7-10,13-14H,6,11-12,15H2,1-5H3,(H2,26,27,28);4-9,22H,3H2,1-2H3,(H2,20,21,23).

What are the key properties of 5-(2-amino-5-ethynylpyrimidin-4-yl)-2-(5-chloro-2-methylphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrole-3-carboxylic acid;ethyl 5-(2-amino-5-iodopyrimidin-4-yl)-2-(5-chloro-2-methylphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrole-3-carboxylate;ethyl 5-(2-aminopyrimidin-4-yl)-2-(5-chloro-2-methylphenyl)-1H-pyrrole-3-carboxylate;ethyl 5-(2-aminopyrimidin-4-yl)-2-(5-chloro-2-methylphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrole-3-carboxylate;ethyl 5-[2-amino-5-(2-trimethylsilylethynyl)pyrimidin-4-yl]-2-(5-chloro-2-methylphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrole-3-carboxylate?

5-(2-amino-5-ethynylpyrimidin-4-yl)-2-(5-chloro-2-methylphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrole-3-carboxylic acid;ethyl 5-(2-amino-5-iodopyrimidin-4-yl)-2-(5-chloro-2-methylphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrole-3-carboxylate;ethyl 5-(2-aminopyrimidin-4-yl)-2-(5-chloro-2-methylphenyl)-1H-pyrrole-3-carboxylate;ethyl 5-(2-aminopyrimidin-4-yl)-2-(5-chloro-2-methylphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrole-3-carboxylate;ethyl 5-[2-amino-5-(2-trimethylsilylethynyl)pyrimidin-4-yl]-2-(5-chloro-2-methylphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrole-3-carboxylate has a molecular weight of 2523.19 g/mol, XLogP of 27.78, 39 rotatable bonds, 7 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(2-amino-5-ethynylpyrimidin-4-yl)-2-(5-chloro-2-methylphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrole-3-carboxylic acid;ethyl 5-(2-amino-5-iodopyrimidin-4-yl)-2-(5-chloro-2-methylphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrole-3-carboxylate;ethyl 5-(2-aminopyrimidin-4-yl)-2-(5-chloro-2-methylphenyl)-1H-pyrrole-3-carboxylate;ethyl 5-(2-aminopyrimidin-4-yl)-2-(5-chloro-2-methylphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrole-3-carboxylate;ethyl 5-[2-amino-5-(2-trimethylsilylethynyl)pyrimidin-4-yl]-2-(5-chloro-2-methylphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrole-3-carboxylate is sourced from PubChem (CID 157208993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).