4-(3-amino-5-fluorophenoxy)-5-chloro-N-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-amine;5-chloro-4-(3-fluoro-5-nitrophenoxy)-N-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-amine;dichlorotin

C60H76Cl4F2N14O8Si2Sn — CID 159145352

About 4-(3-amino-5-fluorophenoxy)-5-chloro-N-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-amine;5-chloro-4-(3-fluoro-5-nitrophenoxy)-N-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-amine;dichlorotin

4-(3-amino-5-fluorophenoxy)-5-chloro-N-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-amine;5-chloro-4-(3-fluoro-5-nitrophenoxy)-N-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-amine;dichlorotin (PubChem CID 159145352) has the molecular formula C60H76Cl4F2N14O8Si2Sn and a molecular weight of 1476.05 g/mol. Its IUPAC name is 4-(3-amino-5-fluorophenoxy)-5-chloro-N-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-amine;5-chloro-4-(3-fluoro-5-nitrophenoxy)-N-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-amine;dichlorotin.

Molecular Properties

• Compound Name: 4-(3-amino-5-fluorophenoxy)-5-chloro-N-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-amine;5-chloro-4-(3-fluoro-5-nitrophenoxy)-N-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-amine;dichlorotin
• PubChem CID: 159145352
• Molecular Formula: C60H76Cl4F2N14O8Si2Sn
• Molecular Weight: 1476.05 g/mol
• Exact Mass: 1474.33
• IUPAC Name: 4-(3-amino-5-fluorophenoxy)-5-chloro-N-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-amine;5-chloro-4-(3-fluoro-5-nitrophenoxy)-N-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-amine;dichlorotin
• SMILES: COc1cc(N2CCN(C)CC2)ccc1Nc1nc(Oc2cc(F)cc([N+](=O)[O-])c2)c2c(Cl)cn(COCC[Si](C)(C)C)c2n1.COc1cc(N2CCN(C)CC2)ccc1Nc1nc(Oc2cc(N)cc(F)c2)c2c(Cl)cn(COCC[Si](C)(C)C)c2n1.Cl[Sn]Cl
• InChI: InChI=1S/C30H37ClFN7O5Si.C30H39ClFN7O3Si.2ClH.Sn/c1-36-8-10-37(11-9-36)21-6-7-25(26(17-21)42-2)33-30-34-28-27(24(31)18-38(28)19-43-12-13-45(3,4)5)29(35-30)44-23-15-20(32)14-22(16-23)39(40)41;1-37-8-10-38(11-9-37)22-6-7-25(26(17-22)40-2)34-30-35-28-27(24(31)18-39(28)19-41-12-13-43(3,4)5)29(36-30)42-23-15-20(32)14-21(33)16-23;;;/h6-7,14-18H,8-13,19H2,1-5H3,(H,33,34,35);6-7,14-18H,8-13,19,33H2,1-5H3,(H,34,35,36);2*1H;/q;;;;+2/p-2
• InChIKey: KIPQEURPWWOEAA-UHFFFAOYSA-L
• XLogP: 14.15
• TPSA: 222.98 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 21
• Rotatable Bonds: 23
• Heavy Atoms: 91
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1476.05
LogP ≤ 5	14.15
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-(3-amino-5-fluorophenoxy)-5-chloro-N-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-amine;5-chloro-4-(3-fluoro-5-nitrophenoxy)-N-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-amine;dichlorotin?

The IUPAC name of 4-(3-amino-5-fluorophenoxy)-5-chloro-N-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-amine;5-chloro-4-(3-fluoro-5-nitrophenoxy)-N-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-amine;dichlorotin (CID 159145352) is 4-(3-amino-5-fluorophenoxy)-5-chloro-N-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-amine;5-chloro-4-(3-fluoro-5-nitrophenoxy)-N-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-amine;dichlorotin.

What is the SMILES notation for 4-(3-amino-5-fluorophenoxy)-5-chloro-N-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-amine;5-chloro-4-(3-fluoro-5-nitrophenoxy)-N-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-amine;dichlorotin?

The canonical SMILES for 4-(3-amino-5-fluorophenoxy)-5-chloro-N-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-amine;5-chloro-4-(3-fluoro-5-nitrophenoxy)-N-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-amine;dichlorotin is COc1cc(N2CCN(C)CC2)ccc1Nc1nc(Oc2cc(F)cc([N+](=O)[O-])c2)c2c(Cl)cn(COCC[Si](C)(C)C)c2n1.COc1cc(N2CCN(C)CC2)ccc1Nc1nc(Oc2cc(N)cc(F)c2)c2c(Cl)cn(COCC[Si](C)(C)C)c2n1.Cl[Sn]Cl.

What is the InChIKey of 4-(3-amino-5-fluorophenoxy)-5-chloro-N-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-amine;5-chloro-4-(3-fluoro-5-nitrophenoxy)-N-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-amine;dichlorotin?

The InChIKey is KIPQEURPWWOEAA-UHFFFAOYSA-L. The full InChI is InChI=1S/C30H37ClFN7O5Si.C30H39ClFN7O3Si.2ClH.Sn/c1-36-8-10-37(11-9-36)21-6-7-25(26(17-21)42-2)33-30-34-28-27(24(31)18-38(28)19-43-12-13-45(3,4)5)29(35-30)44-23-15-20(32)14-22(16-23)39(40)41;1-37-8-10-38(11-9-37)22-6-7-25(26(17-22)40-2)34-30-35-28-27(24(31)18-39(28)19-41-12-13-43(3,4)5)29(36-30)42-23-15-20(32)14-21(33)16-23;;;/h6-7,14-18H,8-13,19H2,1-5H3,(H,33,34,35);6-7,14-18H,8-13,19,33H2,1-5H3,(H,34,35,36);2*1H;/q;;;;+2/p-2.

What are the key properties of 4-(3-amino-5-fluorophenoxy)-5-chloro-N-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-amine;5-chloro-4-(3-fluoro-5-nitrophenoxy)-N-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-amine;dichlorotin?

4-(3-amino-5-fluorophenoxy)-5-chloro-N-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-amine;5-chloro-4-(3-fluoro-5-nitrophenoxy)-N-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-amine;dichlorotin has a molecular weight of 1476.05 g/mol, XLogP of 14.15, 23 rotatable bonds, 3 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(3-amino-5-fluorophenoxy)-5-chloro-N-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-amine;5-chloro-4-(3-fluoro-5-nitrophenoxy)-N-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-amine;dichlorotin is sourced from PubChem (CID 159145352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).