4-(3-aminophenoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-amine;2-(chloromethoxy)ethyl-trimethylsilane;2-[[2-chloro-4-(3-nitrophenoxy)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidine;2-[(2,4-dichloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;methane;4-(4-methylpiperazin-1-yl)aniline;N-[4-(4-methylpiperazin-1-yl)phenyl]-4-(3-nitrophenoxy)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-amine;3-nitrophenol;prop-2-enoyl chloride

C121H161Cl7N28O16Si5 — CID 157471189

About 4-(3-aminophenoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-amine;2-(chloromethoxy)ethyl-trimethylsilane;2-[[2-chloro-4-(3-nitrophenoxy)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidine;2-[(2,4-dichloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;methane;4-(4-methylpiperazin-1-yl)aniline;N-[4-(4-methylpiperazin-1-yl)phenyl]-4-(3-nitrophenoxy)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-amine;3-nitrophenol;prop-2-enoyl chloride

4-(3-aminophenoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-amine;2-(chloromethoxy)ethyl-trimethylsilane;2-[[2-chloro-4-(3-nitrophenoxy)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidine;2-[(2,4-dichloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;methane;4-(4-methylpiperazin-1-yl)aniline;N-[4-(4-methylpiperazin-1-yl)phenyl]-4-(3-nitrophenoxy)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-amine;3-nitrophenol;prop-2-enoyl chloride (PubChem CID 157471189) has the molecular formula C121H161Cl7N28O16Si5 and a molecular weight of 2652.40 g/mol. Its IUPAC name is 4-(3-aminophenoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-amine;2-(chloromethoxy)ethyl-trimethylsilane;2-[[2-chloro-4-(3-nitrophenoxy)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidine;2-[(2,4-dichloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;methane;4-(4-methylpiperazin-1-yl)aniline;N-[4-(4-methylpiperazin-1-yl)phenyl]-4-(3-nitrophenoxy)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-amine;3-nitrophenol;prop-2-enoyl chloride.

Molecular Properties

• Compound Name: 4-(3-aminophenoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-amine;2-(chloromethoxy)ethyl-trimethylsilane;2-[[2-chloro-4-(3-nitrophenoxy)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidine;2-[(2,4-dichloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;methane;4-(4-methylpiperazin-1-yl)aniline;N-[4-(4-methylpiperazin-1-yl)phenyl]-4-(3-nitrophenoxy)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-amine;3-nitrophenol;prop-2-enoyl chloride
• PubChem CID: 157471189
• Molecular Formula: C121H161Cl7N28O16Si5
• Molecular Weight: 2652.40 g/mol
• Exact Mass: 2646.93
• IUPAC Name: 4-(3-aminophenoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-amine;2-(chloromethoxy)ethyl-trimethylsilane;2-[[2-chloro-4-(3-nitrophenoxy)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidine;2-[(2,4-dichloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;methane;4-(4-methylpiperazin-1-yl)aniline;N-[4-(4-methylpiperazin-1-yl)phenyl]-4-(3-nitrophenoxy)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-amine;3-nitrophenol;prop-2-enoyl chloride
• SMILES: C.C=CC(=O)Cl.CN1CCN(c2ccc(N)cc2)CC1.CN1CCN(c2ccc(Nc3nc(Oc4cccc(N)c4)c4ccn(COCC[Si](C)(C)C)c4n3)cc2)CC1.CN1CCN(c2ccc(Nc3nc(Oc4cccc([N+](=O)[O-])c4)c4ccn(COCC[Si](C)(C)C)c4n3)cc2)CC1.C[Si](C)(C)CCOCCl.C[Si](C)(C)CCOCn1ccc2c(Cl)nc(Cl)nc21.C[Si](C)(C)CCOCn1ccc2c(Oc3cccc([N+](=O)[O-])c3)nc(Cl)nc21.Clc1nc(Cl)c2cc[nH]c2n1.O=[N+]([O-])c1cccc(O)c1
• InChI: InChI=1S/C29H37N7O4Si.C29H39N7O2Si.C18H21ClN4O4Si.C12H17Cl2N3OSi.C11H17N3.C6H3Cl2N3.C6H15ClOSi.C6H5NO3.C3H3ClO.CH4/c1-33-14-16-34(17-15-33)23-10-8-22(9-11-23)30-29-31-27-26(12-13-35(27)21-39-18-19-41(2,3)4)28(32-29)40-25-7-5-6-24(20-25)36(37)38;1-34-14-16-35(17-15-34)24-10-8-23(9-11-24)31-29-32-27-26(12-13-36(27)21-37-18-19-39(2,3)4)28(33-29)38-25-7-5-6-22(30)20-25;1-28(2,3)10-9-26-12-22-8-7-15-16(22)20-18(19)21-17(15)27-14-6-4-5-13(11-14)23(24)25;1-19(2,3)7-6-18-8-17-5-4-9-10(13)15-12(14)16-11(9)17;1-13-6-8-14(9-7-13)11-4-2-10(12)3-5-11;7-4-3-1-2-9-5(3)11-6(8)10-4;1-9(2,3)5-4-8-6-7;8-6-3-1-2-5(4-6)7(9)10;1-2-3(4)5;/h5-13,20H,14-19,21H2,1-4H3,(H,30,31,32);5-13,20H,14-19,21,30H2,1-4H3,(H,31,32,33);4-8,11H,9-10,12H2,1-3H3;4-5H,6-8H2,1-3H3;2-5H,6-9,12H2,1H3;1-2H,(H,9,10,11);4-6H2,1-3H3;1-4,8H;2H,1H2;1H4
• InChIKey: BVBCQSXVKXOYDR-UHFFFAOYSA-N
• XLogP: 29.40
• TPSA: 500.51 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 40
• Rotatable Bonds: 41
• Heavy Atoms: 177
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2652.40
LogP ≤ 5	29.40
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	40

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminophenoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-amine;2-(chloromethoxy)ethyl-trimethylsilane;2-[[2-chloro-4-(3-nitrophenoxy)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidine;2-[(2,4-dichloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;methane;4-(4-methylpiperazin-1-yl)aniline;N-[4-(4-methylpiperazin-1-yl)phenyl]-4-(3-nitrophenoxy)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-amine;3-nitrophenol;prop-2-enoyl chloride?

The IUPAC name of 4-(3-aminophenoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-amine;2-(chloromethoxy)ethyl-trimethylsilane;2-[[2-chloro-4-(3-nitrophenoxy)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidine;2-[(2,4-dichloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;methane;4-(4-methylpiperazin-1-yl)aniline;N-[4-(4-methylpiperazin-1-yl)phenyl]-4-(3-nitrophenoxy)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-amine;3-nitrophenol;prop-2-enoyl chloride (CID 157471189) is 4-(3-aminophenoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-amine;2-(chloromethoxy)ethyl-trimethylsilane;2-[[2-chloro-4-(3-nitrophenoxy)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidine;2-[(2,4-dichloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;methane;4-(4-methylpiperazin-1-yl)aniline;N-[4-(4-methylpiperazin-1-yl)phenyl]-4-(3-nitrophenoxy)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-amine;3-nitrophenol;prop-2-enoyl chloride.

What is the SMILES notation for 4-(3-aminophenoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-amine;2-(chloromethoxy)ethyl-trimethylsilane;2-[[2-chloro-4-(3-nitrophenoxy)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidine;2-[(2,4-dichloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;methane;4-(4-methylpiperazin-1-yl)aniline;N-[4-(4-methylpiperazin-1-yl)phenyl]-4-(3-nitrophenoxy)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-amine;3-nitrophenol;prop-2-enoyl chloride?

The canonical SMILES for 4-(3-aminophenoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-amine;2-(chloromethoxy)ethyl-trimethylsilane;2-[[2-chloro-4-(3-nitrophenoxy)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidine;2-[(2,4-dichloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;methane;4-(4-methylpiperazin-1-yl)aniline;N-[4-(4-methylpiperazin-1-yl)phenyl]-4-(3-nitrophenoxy)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-amine;3-nitrophenol;prop-2-enoyl chloride is C.C=CC(=O)Cl.CN1CCN(c2ccc(N)cc2)CC1.CN1CCN(c2ccc(Nc3nc(Oc4cccc(N)c4)c4ccn(COCC[Si](C)(C)C)c4n3)cc2)CC1.CN1CCN(c2ccc(Nc3nc(Oc4cccc([N+](=O)[O-])c4)c4ccn(COCC[Si](C)(C)C)c4n3)cc2)CC1.C[Si](C)(C)CCOCCl.C[Si](C)(C)CCOCn1ccc2c(Cl)nc(Cl)nc21.C[Si](C)(C)CCOCn1ccc2c(Oc3cccc([N+](=O)[O-])c3)nc(Cl)nc21.Clc1nc(Cl)c2cc[nH]c2n1.O=[N+]([O-])c1cccc(O)c1.

What is the InChIKey of 4-(3-aminophenoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-amine;2-(chloromethoxy)ethyl-trimethylsilane;2-[[2-chloro-4-(3-nitrophenoxy)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidine;2-[(2,4-dichloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;methane;4-(4-methylpiperazin-1-yl)aniline;N-[4-(4-methylpiperazin-1-yl)phenyl]-4-(3-nitrophenoxy)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-amine;3-nitrophenol;prop-2-enoyl chloride?

The InChIKey is BVBCQSXVKXOYDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H37N7O4Si.C29H39N7O2Si.C18H21ClN4O4Si.C12H17Cl2N3OSi.C11H17N3.C6H3Cl2N3.C6H15ClOSi.C6H5NO3.C3H3ClO.CH4/c1-33-14-16-34(17-15-33)23-10-8-22(9-11-23)30-29-31-27-26(12-13-35(27)21-39-18-19-41(2,3)4)28(32-29)40-25-7-5-6-24(20-25)36(37)38;1-34-14-16-35(17-15-34)24-10-8-23(9-11-24)31-29-32-27-26(12-13-36(27)21-37-18-19-39(2,3)4)28(33-29)38-25-7-5-6-22(30)20-25;1-28(2,3)10-9-26-12-22-8-7-15-16(22)20-18(19)21-17(15)27-14-6-4-5-13(11-14)23(24)25;1-19(2,3)7-6-18-8-17-5-4-9-10(13)15-12(14)16-11(9)17;1-13-6-8-14(9-7-13)11-4-2-10(12)3-5-11;7-4-3-1-2-9-5(3)11-6(8)10-4;1-9(2,3)5-4-8-6-7;8-6-3-1-2-5(4-6)7(9)10;1-2-3(4)5;/h5-13,20H,14-19,21H2,1-4H3,(H,30,31,32);5-13,20H,14-19,21,30H2,1-4H3,(H,31,32,33);4-8,11H,9-10,12H2,1-3H3;4-5H,6-8H2,1-3H3;2-5H,6-9,12H2,1H3;1-2H,(H,9,10,11);4-6H2,1-3H3;1-4,8H;2H,1H2;1H4.

What are the key properties of 4-(3-aminophenoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-amine;2-(chloromethoxy)ethyl-trimethylsilane;2-[[2-chloro-4-(3-nitrophenoxy)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidine;2-[(2,4-dichloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;methane;4-(4-methylpiperazin-1-yl)aniline;N-[4-(4-methylpiperazin-1-yl)phenyl]-4-(3-nitrophenoxy)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-amine;3-nitrophenol;prop-2-enoyl chloride?

4-(3-aminophenoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-amine;2-(chloromethoxy)ethyl-trimethylsilane;2-[[2-chloro-4-(3-nitrophenoxy)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidine;2-[(2,4-dichloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;methane;4-(4-methylpiperazin-1-yl)aniline;N-[4-(4-methylpiperazin-1-yl)phenyl]-4-(3-nitrophenoxy)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-amine;3-nitrophenol;prop-2-enoyl chloride has a molecular weight of 2652.40 g/mol, XLogP of 29.40, 41 rotatable bonds, 6 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(3-aminophenoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-amine;2-(chloromethoxy)ethyl-trimethylsilane;2-[[2-chloro-4-(3-nitrophenoxy)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidine;2-[(2,4-dichloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;methane;4-(4-methylpiperazin-1-yl)aniline;N-[4-(4-methylpiperazin-1-yl)phenyl]-4-(3-nitrophenoxy)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-amine;3-nitrophenol;prop-2-enoyl chloride is sourced from PubChem (CID 157471189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).