Tert-butyl 4-chloropyrrolo[2,3-d]pyrimidine-7-carboxylate;4-chloro-7-(diethoxymethyl)pyrrolo[2,3-d]pyrimidine;4-chloro-7-(phenylmethoxymethyl)pyrrolo[2,3-d]pyrimidine;4-chloro-7H-pyrrolo[2,3-d]pyrimidine;2-[(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)methyl 2,2-dimethylpropanoate;(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-tri(propan-2-yl)silane;diethoxymethoxyethane;2-ethoxyethyl(trimethyl)silane

C₉₅H₁₃₂Cl₇N₂₁O₁₂Si₃ — CID 161128853

About Tert-butyl 4-chloropyrrolo[2,3-d]pyrimidine-7-carboxylate;4-chloro-7-(diethoxymethyl)pyrrolo[2,3-d]pyrimidine;4-chloro-7-(phenylmethoxymethyl)pyrrolo[2,3-d]pyrimidine;4-chloro-7H-pyrrolo[2,3-d]pyrimidine;2-[(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)methyl 2,2-dimethylpropanoate;(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-tri(propan-2-yl)silane;diethoxymethoxyethane;2-ethoxyethyl(trimethyl)silane

Tert-butyl 4-chloropyrrolo[2,3-d]pyrimidine-7-carboxylate;4-chloro-7-(diethoxymethyl)pyrrolo[2,3-d]pyrimidine;4-chloro-7-(phenylmethoxymethyl)pyrrolo[2,3-d]pyrimidine;4-chloro-7H-pyrrolo[2,3-d]pyrimidine;2-[(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)methyl 2,2-dimethylpropanoate;(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-tri(propan-2-yl)silane;diethoxymethoxyethane;2-ethoxyethyl(trimethyl)silane (PubChem CID 161128853) has the molecular formula C₉₅H₁₃₂Cl₇N₂₁O₁₂Si₃ and a molecular weight of 2092.66 g/mol. Its IUPAC name is tert-butyl 4-chloropyrrolo[2,3-d]pyrimidine-7-carboxylate;4-chloro-7-(diethoxymethyl)pyrrolo[2,3-d]pyrimidine;4-chloro-7-(phenylmethoxymethyl)pyrrolo[2,3-d]pyrimidine;4-chloro-7H-pyrrolo[2,3-d]pyrimidine;2-[(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)methyl 2,2-dimethylpropanoate;(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-tri(propan-2-yl)silane;diethoxymethoxyethane;2-ethoxyethyl(trimethyl)silane.

Molecular Properties

• Compound Name: Tert-butyl 4-chloropyrrolo[2,3-d]pyrimidine-7-carboxylate;4-chloro-7-(diethoxymethyl)pyrrolo[2,3-d]pyrimidine;4-chloro-7-(phenylmethoxymethyl)pyrrolo[2,3-d]pyrimidine;4-chloro-7H-pyrrolo[2,3-d]pyrimidine;2-[(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)methyl 2,2-dimethylpropanoate;(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-tri(propan-2-yl)silane;diethoxymethoxyethane;2-ethoxyethyl(trimethyl)silane
• PubChem CID: 161128853
• Molecular Formula: C₉₅H₁₃₂Cl₇N₂₁O₁₂Si₃
• Molecular Weight: 2092.66 g/mol
• Exact Mass: 2087.75
• IUPAC Name: tert-butyl 4-chloropyrrolo[2,3-d]pyrimidine-7-carboxylate;4-chloro-7-(diethoxymethyl)pyrrolo[2,3-d]pyrimidine;4-chloro-7-(phenylmethoxymethyl)pyrrolo[2,3-d]pyrimidine;4-chloro-7H-pyrrolo[2,3-d]pyrimidine;2-[(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)methyl 2,2-dimethylpropanoate;(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-tri(propan-2-yl)silane;diethoxymethoxyethane;2-ethoxyethyl(trimethyl)silane
• SMILES: CC(C)(C)C(=O)OCn1ccc2c(Cl)ncnc21.CC(C)(C)OC(=O)n1ccc2c(Cl)ncnc21.CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(Cl)ncnc21.CCOC(OCC)OCC.CCOC(OCC)n1ccc2c(Cl)ncnc21.CCOCC[Si](C)(C)C.C[Si](C)(C)CCOCn1ccc2c(Cl)ncnc21.Clc1ncnc2[nH]ccc12.Clc1ncnc2c1ccn2COCc1ccccc1
• InChI: InChI=1S/C15H24ClN3Si.C14H12ClN3O.C12H14ClN3O2.C12H18ClN3OSi.C11H12ClN3O2.C11H14ClN3O2.C7H16O3.C7H18OSi.C6H4ClN3/c1-10(2)20(11(3)4,12(5)6)19-8-7-13-14(16)17-9-18-15(13)19;15-13-12-6-7-18(14(12)17-9-16-13)10-19-8-11-4-2-1-3-5-11;1-12(2,3)11(17)18-7-16-5-4-8-9(13)14-6-15-10(8)16;1-18(2,3)7-6-17-9-16-5-4-10-11(13)14-8-15-12(10)16;1-11(2,3)17-10(16)15-5-4-7-8(12)13-6-14-9(7)15;1-3-16-11(17-4-2)15-6-5-8-9(12)13-7-14-10(8)15;1-4-8-7(9-5-2)10-6-3;1-5-8-6-7-9(2,3)4;7-5-4-1-2-8-6(4)10-3-9-5/h7-12H,1-6H3;1-7,9H,8,10H2;4-6H,7H2,1-3H3;4-5,8H,6-7,9H2,1-3H3;4-6H,1-3H3;5-7,11H,3-4H2,1-2H3;7H,4-6H2,1-3H3;5-7H2,1-4H3;1-3H,(H,8,9,10)
• InChIKey: ULXKJBBJRUPRQF-UHFFFAOYSA-N
• XLogP: 25.23
• TPSA: 352.27 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 32
• Rotatable Bonds: 30
• Heavy Atoms: 138
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2092.66
LogP ≤ 5	25.23
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of Tert-butyl 4-chloropyrrolo[2,3-d]pyrimidine-7-carboxylate;4-chloro-7-(diethoxymethyl)pyrrolo[2,3-d]pyrimidine;4-chloro-7-(phenylmethoxymethyl)pyrrolo[2,3-d]pyrimidine;4-chloro-7H-pyrrolo[2,3-d]pyrimidine;2-[(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)methyl 2,2-dimethylpropanoate;(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-tri(propan-2-yl)silane;diethoxymethoxyethane;2-ethoxyethyl(trimethyl)silane?

The IUPAC name of Tert-butyl 4-chloropyrrolo[2,3-d]pyrimidine-7-carboxylate;4-chloro-7-(diethoxymethyl)pyrrolo[2,3-d]pyrimidine;4-chloro-7-(phenylmethoxymethyl)pyrrolo[2,3-d]pyrimidine;4-chloro-7H-pyrrolo[2,3-d]pyrimidine;2-[(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)methyl 2,2-dimethylpropanoate;(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-tri(propan-2-yl)silane;diethoxymethoxyethane;2-ethoxyethyl(trimethyl)silane (CID 161128853) is tert-butyl 4-chloropyrrolo[2,3-d]pyrimidine-7-carboxylate;4-chloro-7-(diethoxymethyl)pyrrolo[2,3-d]pyrimidine;4-chloro-7-(phenylmethoxymethyl)pyrrolo[2,3-d]pyrimidine;4-chloro-7H-pyrrolo[2,3-d]pyrimidine;2-[(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)methyl 2,2-dimethylpropanoate;(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-tri(propan-2-yl)silane;diethoxymethoxyethane;2-ethoxyethyl(trimethyl)silane.

What is the SMILES notation for Tert-butyl 4-chloropyrrolo[2,3-d]pyrimidine-7-carboxylate;4-chloro-7-(diethoxymethyl)pyrrolo[2,3-d]pyrimidine;4-chloro-7-(phenylmethoxymethyl)pyrrolo[2,3-d]pyrimidine;4-chloro-7H-pyrrolo[2,3-d]pyrimidine;2-[(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)methyl 2,2-dimethylpropanoate;(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-tri(propan-2-yl)silane;diethoxymethoxyethane;2-ethoxyethyl(trimethyl)silane?

The canonical SMILES for Tert-butyl 4-chloropyrrolo[2,3-d]pyrimidine-7-carboxylate;4-chloro-7-(diethoxymethyl)pyrrolo[2,3-d]pyrimidine;4-chloro-7-(phenylmethoxymethyl)pyrrolo[2,3-d]pyrimidine;4-chloro-7H-pyrrolo[2,3-d]pyrimidine;2-[(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)methyl 2,2-dimethylpropanoate;(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-tri(propan-2-yl)silane;diethoxymethoxyethane;2-ethoxyethyl(trimethyl)silane is CC(C)(C)C(=O)OCn1ccc2c(Cl)ncnc21.CC(C)(C)OC(=O)n1ccc2c(Cl)ncnc21.CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(Cl)ncnc21.CCOC(OCC)OCC.CCOC(OCC)n1ccc2c(Cl)ncnc21.CCOCC[Si](C)(C)C.C[Si](C)(C)CCOCn1ccc2c(Cl)ncnc21.Clc1ncnc2[nH]ccc12.Clc1ncnc2c1ccn2COCc1ccccc1.

What is the InChIKey of Tert-butyl 4-chloropyrrolo[2,3-d]pyrimidine-7-carboxylate;4-chloro-7-(diethoxymethyl)pyrrolo[2,3-d]pyrimidine;4-chloro-7-(phenylmethoxymethyl)pyrrolo[2,3-d]pyrimidine;4-chloro-7H-pyrrolo[2,3-d]pyrimidine;2-[(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)methyl 2,2-dimethylpropanoate;(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-tri(propan-2-yl)silane;diethoxymethoxyethane;2-ethoxyethyl(trimethyl)silane?

The InChIKey is ULXKJBBJRUPRQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN3Si.C14H12ClN3O.C12H14ClN3O2.C12H18ClN3OSi.C11H12ClN3O2.C11H14ClN3O2.C7H16O3.C7H18OSi.C6H4ClN3/c1-10(2)20(11(3)4,12(5)6)19-8-7-13-14(16)17-9-18-15(13)19;15-13-12-6-7-18(14(12)17-9-16-13)10-19-8-11-4-2-1-3-5-11;1-12(2,3)11(17)18-7-16-5-4-8-9(13)14-6-15-10(8)16;1-18(2,3)7-6-17-9-16-5-4-10-11(13)14-8-15-12(10)16;1-11(2,3)17-10(16)15-5-4-7-8(12)13-6-14-9(7)15;1-3-16-11(17-4-2)15-6-5-8-9(12)13-7-14-10(8)15;1-4-8-7(9-5-2)10-6-3;1-5-8-6-7-9(2,3)4;7-5-4-1-2-8-6(4)10-3-9-5/h7-12H,1-6H3;1-7,9H,8,10H2;4-6H,7H2,1-3H3;4-5,8H,6-7,9H2,1-3H3;4-6H,1-3H3;5-7,11H,3-4H2,1-2H3;7H,4-6H2,1-3H3;5-7H2,1-4H3;1-3H,(H,8,9,10).

What are the key properties of Tert-butyl 4-chloropyrrolo[2,3-d]pyrimidine-7-carboxylate;4-chloro-7-(diethoxymethyl)pyrrolo[2,3-d]pyrimidine;4-chloro-7-(phenylmethoxymethyl)pyrrolo[2,3-d]pyrimidine;4-chloro-7H-pyrrolo[2,3-d]pyrimidine;2-[(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)methyl 2,2-dimethylpropanoate;(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-tri(propan-2-yl)silane;diethoxymethoxyethane;2-ethoxyethyl(trimethyl)silane?

Tert-butyl 4-chloropyrrolo[2,3-d]pyrimidine-7-carboxylate;4-chloro-7-(diethoxymethyl)pyrrolo[2,3-d]pyrimidine;4-chloro-7-(phenylmethoxymethyl)pyrrolo[2,3-d]pyrimidine;4-chloro-7H-pyrrolo[2,3-d]pyrimidine;2-[(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)methyl 2,2-dimethylpropanoate;(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-tri(propan-2-yl)silane;diethoxymethoxyethane;2-ethoxyethyl(trimethyl)silane has a molecular weight of 2092.66 g/mol, XLogP of 25.23, 30 rotatable bonds, 1 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for Tert-butyl 4-chloropyrrolo[2,3-d]pyrimidine-7-carboxylate;4-chloro-7-(diethoxymethyl)pyrrolo[2,3-d]pyrimidine;4-chloro-7-(phenylmethoxymethyl)pyrrolo[2,3-d]pyrimidine;4-chloro-7H-pyrrolo[2,3-d]pyrimidine;2-[(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)methyl 2,2-dimethylpropanoate;(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-tri(propan-2-yl)silane;diethoxymethoxyethane;2-ethoxyethyl(trimethyl)silane is sourced from PubChem (CID 161128853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 161128853 — identifiers, structure, computed properties (public domain)

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