5-bromo-4-chloro-7H-pyrrolo[2,3-d]pyrimidine;2-[(5-bromo-4-chloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;2-[(5-bromo-4-methoxypyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;4-chloro-7H-pyrrolo[2,3-d]pyrimidine;4-(4-methoxy-7H-pyrrolo[2,3-d]pyrimidin-5-yl)pyridin-2-amine;4-[4-methoxy-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]pyridin-2-amine;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine

C78H97BBr3Cl3N24O8Si3 — CID 160703940

About 5-bromo-4-chloro-7H-pyrrolo[2,3-d]pyrimidine;2-[(5-bromo-4-chloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;2-[(5-bromo-4-methoxypyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;4-chloro-7H-pyrrolo[2,3-d]pyrimidine;4-(4-methoxy-7H-pyrrolo[2,3-d]pyrimidin-5-yl)pyridin-2-amine;4-[4-methoxy-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]pyridin-2-amine;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine

5-bromo-4-chloro-7H-pyrrolo[2,3-d]pyrimidine;2-[(5-bromo-4-chloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;2-[(5-bromo-4-methoxypyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;4-chloro-7H-pyrrolo[2,3-d]pyrimidine;4-(4-methoxy-7H-pyrrolo[2,3-d]pyrimidin-5-yl)pyridin-2-amine;4-[4-methoxy-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]pyridin-2-amine;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine (PubChem CID 160703940) has the molecular formula C78H97BBr3Cl3N24O8Si3 and a molecular weight of 1939.93 g/mol. Its IUPAC name is 5-bromo-4-chloro-7H-pyrrolo[2,3-d]pyrimidine;2-[(5-bromo-4-chloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;2-[(5-bromo-4-methoxypyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;4-chloro-7H-pyrrolo[2,3-d]pyrimidine;4-(4-methoxy-7H-pyrrolo[2,3-d]pyrimidin-5-yl)pyridin-2-amine;4-[4-methoxy-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]pyridin-2-amine;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine.

Molecular Properties

• Compound Name: 5-bromo-4-chloro-7H-pyrrolo[2,3-d]pyrimidine;2-[(5-bromo-4-chloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;2-[(5-bromo-4-methoxypyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;4-chloro-7H-pyrrolo[2,3-d]pyrimidine;4-(4-methoxy-7H-pyrrolo[2,3-d]pyrimidin-5-yl)pyridin-2-amine;4-[4-methoxy-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]pyridin-2-amine;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
• PubChem CID: 160703940
• Molecular Formula: C78H97BBr3Cl3N24O8Si3
• Molecular Weight: 1939.93 g/mol
• Exact Mass: 1934.39
• IUPAC Name: 5-bromo-4-chloro-7H-pyrrolo[2,3-d]pyrimidine;2-[(5-bromo-4-chloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;2-[(5-bromo-4-methoxypyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;4-chloro-7H-pyrrolo[2,3-d]pyrimidine;4-(4-methoxy-7H-pyrrolo[2,3-d]pyrimidin-5-yl)pyridin-2-amine;4-[4-methoxy-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]pyridin-2-amine;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
• SMILES: CC1(C)OB(c2ccnc(N)c2)OC1(C)C.COc1ncnc2[nH]cc(-c3ccnc(N)c3)c12.COc1ncnc2c1c(-c1ccnc(N)c1)cn2COCC[Si](C)(C)C.COc1ncnc2c1c(Br)cn2COCC[Si](C)(C)C.C[Si](C)(C)CCOCn1cc(Br)c2c(Cl)ncnc21.Clc1ncnc2[nH]cc(Br)c12.Clc1ncnc2[nH]ccc12
• InChI: InChI=1S/C18H25N5O2Si.C13H20BrN3O2Si.C12H17BrClN3OSi.C12H11N5O.C11H17BN2O2.C6H3BrClN3.C6H4ClN3/c1-24-18-16-14(13-5-6-20-15(19)9-13)10-23(17(16)21-11-22-18)12-25-7-8-26(2,3)4;1-18-13-11-10(14)7-17(12(11)15-8-16-13)9-19-5-6-20(2,3)4;1-19(2,3)5-4-18-8-17-6-9(13)10-11(14)15-7-16-12(10)17;1-18-12-10-8(5-15-11(10)16-6-17-12)7-2-3-14-9(13)4-7;1-10(2)11(3,4)16-12(15-10)8-5-6-14-9(13)7-8;7-3-1-9-6-4(3)5(8)10-2-11-6;7-5-4-1-2-8-6(4)10-3-9-5/h5-6,9-11H,7-8,12H2,1-4H3,(H2,19,20);7-8H,5-6,9H2,1-4H3;6-7H,4-5,8H2,1-3H3;2-6H,1H3,(H2,13,14)(H,15,16,17);5-7H,1-4H3,(H2,13,14);1-2H,(H,9,10,11);1-3H,(H,8,9,10)
• InChIKey: RQYZPYMFHCSOBT-UHFFFAOYSA-N
• XLogP: 17.63
• TPSA: 407.41 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 29
• Rotatable Bonds: 21
• Heavy Atoms: 120
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1939.93
LogP ≤ 5	17.63
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-chloro-7H-pyrrolo[2,3-d]pyrimidine;2-[(5-bromo-4-chloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;2-[(5-bromo-4-methoxypyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;4-chloro-7H-pyrrolo[2,3-d]pyrimidine;4-(4-methoxy-7H-pyrrolo[2,3-d]pyrimidin-5-yl)pyridin-2-amine;4-[4-methoxy-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]pyridin-2-amine;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine?

The IUPAC name of 5-bromo-4-chloro-7H-pyrrolo[2,3-d]pyrimidine;2-[(5-bromo-4-chloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;2-[(5-bromo-4-methoxypyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;4-chloro-7H-pyrrolo[2,3-d]pyrimidine;4-(4-methoxy-7H-pyrrolo[2,3-d]pyrimidin-5-yl)pyridin-2-amine;4-[4-methoxy-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]pyridin-2-amine;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine (CID 160703940) is 5-bromo-4-chloro-7H-pyrrolo[2,3-d]pyrimidine;2-[(5-bromo-4-chloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;2-[(5-bromo-4-methoxypyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;4-chloro-7H-pyrrolo[2,3-d]pyrimidine;4-(4-methoxy-7H-pyrrolo[2,3-d]pyrimidin-5-yl)pyridin-2-amine;4-[4-methoxy-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]pyridin-2-amine;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine.

What is the SMILES notation for 5-bromo-4-chloro-7H-pyrrolo[2,3-d]pyrimidine;2-[(5-bromo-4-chloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;2-[(5-bromo-4-methoxypyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;4-chloro-7H-pyrrolo[2,3-d]pyrimidine;4-(4-methoxy-7H-pyrrolo[2,3-d]pyrimidin-5-yl)pyridin-2-amine;4-[4-methoxy-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]pyridin-2-amine;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine?

The canonical SMILES for 5-bromo-4-chloro-7H-pyrrolo[2,3-d]pyrimidine;2-[(5-bromo-4-chloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;2-[(5-bromo-4-methoxypyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;4-chloro-7H-pyrrolo[2,3-d]pyrimidine;4-(4-methoxy-7H-pyrrolo[2,3-d]pyrimidin-5-yl)pyridin-2-amine;4-[4-methoxy-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]pyridin-2-amine;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine is CC1(C)OB(c2ccnc(N)c2)OC1(C)C.COc1ncnc2[nH]cc(-c3ccnc(N)c3)c12.COc1ncnc2c1c(-c1ccnc(N)c1)cn2COCC[Si](C)(C)C.COc1ncnc2c1c(Br)cn2COCC[Si](C)(C)C.C[Si](C)(C)CCOCn1cc(Br)c2c(Cl)ncnc21.Clc1ncnc2[nH]cc(Br)c12.Clc1ncnc2[nH]ccc12.

What is the InChIKey of 5-bromo-4-chloro-7H-pyrrolo[2,3-d]pyrimidine;2-[(5-bromo-4-chloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;2-[(5-bromo-4-methoxypyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;4-chloro-7H-pyrrolo[2,3-d]pyrimidine;4-(4-methoxy-7H-pyrrolo[2,3-d]pyrimidin-5-yl)pyridin-2-amine;4-[4-methoxy-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]pyridin-2-amine;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine?

The InChIKey is RQYZPYMFHCSOBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2Si.C13H20BrN3O2Si.C12H17BrClN3OSi.C12H11N5O.C11H17BN2O2.C6H3BrClN3.C6H4ClN3/c1-24-18-16-14(13-5-6-20-15(19)9-13)10-23(17(16)21-11-22-18)12-25-7-8-26(2,3)4;1-18-13-11-10(14)7-17(12(11)15-8-16-13)9-19-5-6-20(2,3)4;1-19(2,3)5-4-18-8-17-6-9(13)10-11(14)15-7-16-12(10)17;1-18-12-10-8(5-15-11(10)16-6-17-12)7-2-3-14-9(13)4-7;1-10(2)11(3,4)16-12(15-10)8-5-6-14-9(13)7-8;7-3-1-9-6-4(3)5(8)10-2-11-6;7-5-4-1-2-8-6(4)10-3-9-5/h5-6,9-11H,7-8,12H2,1-4H3,(H2,19,20);7-8H,5-6,9H2,1-4H3;6-7H,4-5,8H2,1-3H3;2-6H,1H3,(H2,13,14)(H,15,16,17);5-7H,1-4H3,(H2,13,14);1-2H,(H,9,10,11);1-3H,(H,8,9,10).

What are the key properties of 5-bromo-4-chloro-7H-pyrrolo[2,3-d]pyrimidine;2-[(5-bromo-4-chloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;2-[(5-bromo-4-methoxypyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;4-chloro-7H-pyrrolo[2,3-d]pyrimidine;4-(4-methoxy-7H-pyrrolo[2,3-d]pyrimidin-5-yl)pyridin-2-amine;4-[4-methoxy-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]pyridin-2-amine;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine?

5-bromo-4-chloro-7H-pyrrolo[2,3-d]pyrimidine;2-[(5-bromo-4-chloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;2-[(5-bromo-4-methoxypyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;4-chloro-7H-pyrrolo[2,3-d]pyrimidine;4-(4-methoxy-7H-pyrrolo[2,3-d]pyrimidin-5-yl)pyridin-2-amine;4-[4-methoxy-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]pyridin-2-amine;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine has a molecular weight of 1939.93 g/mol, XLogP of 17.63, 21 rotatable bonds, 6 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-4-chloro-7H-pyrrolo[2,3-d]pyrimidine;2-[(5-bromo-4-chloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;2-[(5-bromo-4-methoxypyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;4-chloro-7H-pyrrolo[2,3-d]pyrimidine;4-(4-methoxy-7H-pyrrolo[2,3-d]pyrimidin-5-yl)pyridin-2-amine;4-[4-methoxy-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]pyridin-2-amine;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine is sourced from PubChem (CID 160703940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).