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

C₁₀₂H₁₅₅ClN₂₁O₁₂Si₃- — CID 159802754

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

Tert-butyl 4-methylpyrrolo[2,3-d]pyrimidine-7-carboxylate;2-(chloromethoxy)ethyl-trimethylsilane;deuteride;diethoxymethoxyethane;7-(diethoxymethyl)-4-methylpyrrolo[2,3-d]pyrimidine;methane;4-methyl-7-(phenylmethoxymethyl)pyrrolo[2,3-d]pyrimidine;4-methyl-7H-pyrrolo[2,3-d]pyrimidine;(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)methyl 2,2-dimethylpropanoate;(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-tri(propan-2-yl)silane;trimethyl-[2-[(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl]silane (PubChem CID 159802754) has the molecular formula C₁₀₂H₁₅₅ClN₂₁O₁₂Si₃- and a molecular weight of 1988.21 g/mol. Its IUPAC name is tert-butyl 4-methylpyrrolo[2,3-d]pyrimidine-7-carboxylate;2-(chloromethoxy)ethyl-trimethylsilane;deuteride;diethoxymethoxyethane;7-(diethoxymethyl)-4-methylpyrrolo[2,3-d]pyrimidine;methane;4-methyl-7-(phenylmethoxymethyl)pyrrolo[2,3-d]pyrimidine;4-methyl-7H-pyrrolo[2,3-d]pyrimidine;(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)methyl 2,2-dimethylpropanoate;(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-tri(propan-2-yl)silane;trimethyl-[2-[(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl]silane.

Molecular Properties

• Compound Name: Tert-butyl 4-methylpyrrolo[2,3-d]pyrimidine-7-carboxylate;2-(chloromethoxy)ethyl-trimethylsilane;deuteride;diethoxymethoxyethane;7-(diethoxymethyl)-4-methylpyrrolo[2,3-d]pyrimidine;methane;4-methyl-7-(phenylmethoxymethyl)pyrrolo[2,3-d]pyrimidine;4-methyl-7H-pyrrolo[2,3-d]pyrimidine;(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)methyl 2,2-dimethylpropanoate;(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-tri(propan-2-yl)silane;trimethyl-[2-[(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl]silane
• PubChem CID: 159802754
• Molecular Formula: C₁₀₂H₁₅₅ClN₂₁O₁₂Si₃-
• Molecular Weight: 1988.21 g/mol
• Exact Mass: 1986.12
• IUPAC Name: tert-butyl 4-methylpyrrolo[2,3-d]pyrimidine-7-carboxylate;2-(chloromethoxy)ethyl-trimethylsilane;deuteride;diethoxymethoxyethane;7-(diethoxymethyl)-4-methylpyrrolo[2,3-d]pyrimidine;methane;4-methyl-7-(phenylmethoxymethyl)pyrrolo[2,3-d]pyrimidine;4-methyl-7H-pyrrolo[2,3-d]pyrimidine;(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)methyl 2,2-dimethylpropanoate;(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-tri(propan-2-yl)silane;trimethyl-[2-[(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl]silane
• SMILES: C.CCOC(OCC)OCC.CCOC(OCC)n1ccc2c(C)ncnc21.C[Si](C)(C)CCOCCl.Cc1ncnc2[nH]ccc12.Cc1ncnc2c1ccn2C(=O)OC(C)(C)C.Cc1ncnc2c1ccn2COC(=O)C(C)(C)C.Cc1ncnc2c1ccn2COCC[Si](C)(C)C.Cc1ncnc2c1ccn2COCc1ccccc1.Cc1ncnc2c1ccn2[Si](C(C)C)(C(C)C)C(C)C.[2H-]
• InChI: InChI=1S/C16H27N3Si.C15H15N3O.C13H17N3O2.C13H21N3OSi.C12H15N3O2.C12H17N3O2.C7H7N3.C7H16O3.C6H15ClOSi.CH4.H/c1-11(2)20(12(3)4,13(5)6)19-9-8-15-14(7)17-10-18-16(15)19;1-12-14-7-8-18(15(14)17-10-16-12)11-19-9-13-5-3-2-4-6-13;1-9-10-5-6-16(11(10)15-7-14-9)8-18-12(17)13(2,3)4;1-11-12-5-6-16(13(12)15-9-14-11)10-17-7-8-18(2,3)4;1-8-9-5-6-15(10(9)14-7-13-8)11(16)17-12(2,3)4;1-4-16-12(17-5-2)15-7-6-10-9(3)13-8-14-11(10)15;1-5-6-2-3-8-7(6)10-4-9-5;1-4-8-7(9-5-2)10-6-3;1-9(2,3)5-4-8-6-7;;/h8-13H,1-7H3;2-8,10H,9,11H2,1H3;5-7H,8H2,1-4H3;5-6,9H,7-8,10H2,1-4H3;5-7H,1-4H3;6-8,12H,4-5H2,1-3H3;2-4H,1H3,(H,8,9,10);7H,4-6H2,1-3H3;4-6H2,1-3H3;1H4;/q;;;;;;;;;;-1/i;;;;;;;;;;1+1
• InChIKey: NJZSXFFBGSIJMQ-PSZXADNCSA-N
• XLogP: 23.74
• TPSA: 352.27 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 32
• Rotatable Bonds: 30
• Heavy Atoms: 139
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1988.21
LogP ≤ 5	23.74
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': 'alkyl_halide', '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-methylpyrrolo[2,3-d]pyrimidine-7-carboxylate;2-(chloromethoxy)ethyl-trimethylsilane;deuteride;diethoxymethoxyethane;7-(diethoxymethyl)-4-methylpyrrolo[2,3-d]pyrimidine;methane;4-methyl-7-(phenylmethoxymethyl)pyrrolo[2,3-d]pyrimidine;4-methyl-7H-pyrrolo[2,3-d]pyrimidine;(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)methyl 2,2-dimethylpropanoate;(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-tri(propan-2-yl)silane;trimethyl-[2-[(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl]silane?

The IUPAC name of Tert-butyl 4-methylpyrrolo[2,3-d]pyrimidine-7-carboxylate;2-(chloromethoxy)ethyl-trimethylsilane;deuteride;diethoxymethoxyethane;7-(diethoxymethyl)-4-methylpyrrolo[2,3-d]pyrimidine;methane;4-methyl-7-(phenylmethoxymethyl)pyrrolo[2,3-d]pyrimidine;4-methyl-7H-pyrrolo[2,3-d]pyrimidine;(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)methyl 2,2-dimethylpropanoate;(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-tri(propan-2-yl)silane;trimethyl-[2-[(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl]silane (CID 159802754) is tert-butyl 4-methylpyrrolo[2,3-d]pyrimidine-7-carboxylate;2-(chloromethoxy)ethyl-trimethylsilane;deuteride;diethoxymethoxyethane;7-(diethoxymethyl)-4-methylpyrrolo[2,3-d]pyrimidine;methane;4-methyl-7-(phenylmethoxymethyl)pyrrolo[2,3-d]pyrimidine;4-methyl-7H-pyrrolo[2,3-d]pyrimidine;(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)methyl 2,2-dimethylpropanoate;(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-tri(propan-2-yl)silane;trimethyl-[2-[(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl]silane.

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

The canonical SMILES for Tert-butyl 4-methylpyrrolo[2,3-d]pyrimidine-7-carboxylate;2-(chloromethoxy)ethyl-trimethylsilane;deuteride;diethoxymethoxyethane;7-(diethoxymethyl)-4-methylpyrrolo[2,3-d]pyrimidine;methane;4-methyl-7-(phenylmethoxymethyl)pyrrolo[2,3-d]pyrimidine;4-methyl-7H-pyrrolo[2,3-d]pyrimidine;(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)methyl 2,2-dimethylpropanoate;(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-tri(propan-2-yl)silane;trimethyl-[2-[(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl]silane is C.CCOC(OCC)OCC.CCOC(OCC)n1ccc2c(C)ncnc21.C[Si](C)(C)CCOCCl.Cc1ncnc2[nH]ccc12.Cc1ncnc2c1ccn2C(=O)OC(C)(C)C.Cc1ncnc2c1ccn2COC(=O)C(C)(C)C.Cc1ncnc2c1ccn2COCC[Si](C)(C)C.Cc1ncnc2c1ccn2COCc1ccccc1.Cc1ncnc2c1ccn2[Si](C(C)C)(C(C)C)C(C)C.[2H-].

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

The InChIKey is NJZSXFFBGSIJMQ-PSZXADNCSA-N. The full InChI is InChI=1S/C16H27N3Si.C15H15N3O.C13H17N3O2.C13H21N3OSi.C12H15N3O2.C12H17N3O2.C7H7N3.C7H16O3.C6H15ClOSi.CH4.H/c1-11(2)20(12(3)4,13(5)6)19-9-8-15-14(7)17-10-18-16(15)19;1-12-14-7-8-18(15(14)17-10-16-12)11-19-9-13-5-3-2-4-6-13;1-9-10-5-6-16(11(10)15-7-14-9)8-18-12(17)13(2,3)4;1-11-12-5-6-16(13(12)15-9-14-11)10-17-7-8-18(2,3)4;1-8-9-5-6-15(10(9)14-7-13-8)11(16)17-12(2,3)4;1-4-16-12(17-5-2)15-7-6-10-9(3)13-8-14-11(10)15;1-5-6-2-3-8-7(6)10-4-9-5;1-4-8-7(9-5-2)10-6-3;1-9(2,3)5-4-8-6-7;;/h8-13H,1-7H3;2-8,10H,9,11H2,1H3;5-7H,8H2,1-4H3;5-6,9H,7-8,10H2,1-4H3;5-7H,1-4H3;6-8,12H,4-5H2,1-3H3;2-4H,1H3,(H,8,9,10);7H,4-6H2,1-3H3;4-6H2,1-3H3;1H4;/q;;;;;;;;;;-1/i;;;;;;;;;;1+1.

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

Tert-butyl 4-methylpyrrolo[2,3-d]pyrimidine-7-carboxylate;2-(chloromethoxy)ethyl-trimethylsilane;deuteride;diethoxymethoxyethane;7-(diethoxymethyl)-4-methylpyrrolo[2,3-d]pyrimidine;methane;4-methyl-7-(phenylmethoxymethyl)pyrrolo[2,3-d]pyrimidine;4-methyl-7H-pyrrolo[2,3-d]pyrimidine;(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)methyl 2,2-dimethylpropanoate;(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-tri(propan-2-yl)silane;trimethyl-[2-[(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl]silane has a molecular weight of 1988.21 g/mol, XLogP of 23.74, 30 rotatable bonds, 1 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for Tert-butyl 4-methylpyrrolo[2,3-d]pyrimidine-7-carboxylate;2-(chloromethoxy)ethyl-trimethylsilane;deuteride;diethoxymethoxyethane;7-(diethoxymethyl)-4-methylpyrrolo[2,3-d]pyrimidine;methane;4-methyl-7-(phenylmethoxymethyl)pyrrolo[2,3-d]pyrimidine;4-methyl-7H-pyrrolo[2,3-d]pyrimidine;(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)methyl 2,2-dimethylpropanoate;(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-tri(propan-2-yl)silane;trimethyl-[2-[(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl]silane is sourced from PubChem (CID 159802754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 159802754 — identifiers, structure, computed properties (public domain)

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