bis(4-[7-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-2-(propylamino)pyrrolo[2,3-d]pyrimidin-5-yl]cyclohexane-1-carbaldehyde);[4-[7-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-2-(propylamino)pyrrolo[2,3-d]pyrimidin-5-yl]cyclohexyl]methanol;ethyl 4-[7-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-2-(propylamino)pyrrolo[2,3-d]pyrimidin-5-yl]cyclohexane-1-carboxylate

C114H190N16O9Si4 — CID 167609325

About bis(4-[7-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-2-(propylamino)pyrrolo[2,3-d]pyrimidin-5-yl]cyclohexane-1-carbaldehyde);[4-[7-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-2-(propylamino)pyrrolo[2,3-d]pyrimidin-5-yl]cyclohexyl]methanol;ethyl 4-[7-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-2-(propylamino)pyrrolo[2,3-d]pyrimidin-5-yl]cyclohexane-1-carboxylate

bis(4-[7-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-2-(propylamino)pyrrolo[2,3-d]pyrimidin-5-yl]cyclohexane-1-carbaldehyde);[4-[7-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-2-(propylamino)pyrrolo[2,3-d]pyrimidin-5-yl]cyclohexyl]methanol;ethyl 4-[7-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-2-(propylamino)pyrrolo[2,3-d]pyrimidin-5-yl]cyclohexane-1-carboxylate (PubChem CID 167609325) has the molecular formula C114H190N16O9Si4 and a molecular weight of 2041.22 g/mol. Its IUPAC name is bis(4-[7-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-2-(propylamino)pyrrolo[2,3-d]pyrimidin-5-yl]cyclohexane-1-carbaldehyde);[4-[7-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-2-(propylamino)pyrrolo[2,3-d]pyrimidin-5-yl]cyclohexyl]methanol;ethyl 4-[7-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-2-(propylamino)pyrrolo[2,3-d]pyrimidin-5-yl]cyclohexane-1-carboxylate.

Molecular Properties

• Compound Name: bis(4-[7-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-2-(propylamino)pyrrolo[2,3-d]pyrimidin-5-yl]cyclohexane-1-carbaldehyde);[4-[7-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-2-(propylamino)pyrrolo[2,3-d]pyrimidin-5-yl]cyclohexyl]methanol;ethyl 4-[7-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-2-(propylamino)pyrrolo[2,3-d]pyrimidin-5-yl]cyclohexane-1-carboxylate
• PubChem CID: 167609325
• Molecular Formula: C114H190N16O9Si4
• Molecular Weight: 2041.22 g/mol
• Exact Mass: 2039.40
• IUPAC Name: bis(4-[7-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-2-(propylamino)pyrrolo[2,3-d]pyrimidin-5-yl]cyclohexane-1-carbaldehyde);[4-[7-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-2-(propylamino)pyrrolo[2,3-d]pyrimidin-5-yl]cyclohexyl]methanol;ethyl 4-[7-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-2-(propylamino)pyrrolo[2,3-d]pyrimidin-5-yl]cyclohexane-1-carboxylate
• SMILES: CCCNc1ncc2c(C3CCC(C(=O)OCC)CC3)cn(C3CCC(O[Si](C)(C)C(C)(C)C)CC3)c2n1.CCCNc1ncc2c(C3CCC(C=O)CC3)cn(C3CCC(O[Si](C)(C)C(C)(C)C)CC3)c2n1.CCCNc1ncc2c(C3CCC(C=O)CC3)cn(C3CCC(O[Si](C)(C)C(C)(C)C)CC3)c2n1.CCCNc1ncc2c(C3CCC(CO)CC3)cn(C3CCC(O[Si](C)(C)C(C)(C)C)CC3)c2n1
• InChI: InChI=1S/C30H50N4O3Si.C28H48N4O2Si.2C28H46N4O2Si/c1-8-18-31-29-32-19-25-26(21-10-12-22(13-11-21)28(35)36-9-2)20-34(27(25)33-29)23-14-16-24(17-15-23)37-38(6,7)30(3,4)5;3*1-7-16-29-27-30-17-24-25(21-10-8-20(19-33)9-11-21)18-32(26(24)31-27)22-12-14-23(15-13-22)34-35(5,6)28(2,3)4/h19-24H,8-18H2,1-7H3,(H,31,32,33);17-18,20-23,33H,7-16,19H2,1-6H3,(H,29,30,31);2*17-23H,7-16H2,1-6H3,(H,29,30,31)
• InChIKey: KUYSJVNQEUXVOV-UHFFFAOYSA-N
• XLogP: 29.08
• TPSA: 288.55 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 25
• Rotatable Bonds: 33
• Heavy Atoms: 143
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2041.22
LogP ≤ 5	29.08
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis(4-[7-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-2-(propylamino)pyrrolo[2,3-d]pyrimidin-5-yl]cyclohexane-1-carbaldehyde);[4-[7-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-2-(propylamino)pyrrolo[2,3-d]pyrimidin-5-yl]cyclohexyl]methanol;ethyl 4-[7-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-2-(propylamino)pyrrolo[2,3-d]pyrimidin-5-yl]cyclohexane-1-carboxylate?

The IUPAC name of bis(4-[7-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-2-(propylamino)pyrrolo[2,3-d]pyrimidin-5-yl]cyclohexane-1-carbaldehyde);[4-[7-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-2-(propylamino)pyrrolo[2,3-d]pyrimidin-5-yl]cyclohexyl]methanol;ethyl 4-[7-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-2-(propylamino)pyrrolo[2,3-d]pyrimidin-5-yl]cyclohexane-1-carboxylate (CID 167609325) is bis(4-[7-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-2-(propylamino)pyrrolo[2,3-d]pyrimidin-5-yl]cyclohexane-1-carbaldehyde);[4-[7-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-2-(propylamino)pyrrolo[2,3-d]pyrimidin-5-yl]cyclohexyl]methanol;ethyl 4-[7-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-2-(propylamino)pyrrolo[2,3-d]pyrimidin-5-yl]cyclohexane-1-carboxylate.

What is the SMILES notation for bis(4-[7-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-2-(propylamino)pyrrolo[2,3-d]pyrimidin-5-yl]cyclohexane-1-carbaldehyde);[4-[7-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-2-(propylamino)pyrrolo[2,3-d]pyrimidin-5-yl]cyclohexyl]methanol;ethyl 4-[7-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-2-(propylamino)pyrrolo[2,3-d]pyrimidin-5-yl]cyclohexane-1-carboxylate?

The canonical SMILES for bis(4-[7-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-2-(propylamino)pyrrolo[2,3-d]pyrimidin-5-yl]cyclohexane-1-carbaldehyde);[4-[7-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-2-(propylamino)pyrrolo[2,3-d]pyrimidin-5-yl]cyclohexyl]methanol;ethyl 4-[7-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-2-(propylamino)pyrrolo[2,3-d]pyrimidin-5-yl]cyclohexane-1-carboxylate is CCCNc1ncc2c(C3CCC(C(=O)OCC)CC3)cn(C3CCC(O[Si](C)(C)C(C)(C)C)CC3)c2n1.CCCNc1ncc2c(C3CCC(C=O)CC3)cn(C3CCC(O[Si](C)(C)C(C)(C)C)CC3)c2n1.CCCNc1ncc2c(C3CCC(C=O)CC3)cn(C3CCC(O[Si](C)(C)C(C)(C)C)CC3)c2n1.CCCNc1ncc2c(C3CCC(CO)CC3)cn(C3CCC(O[Si](C)(C)C(C)(C)C)CC3)c2n1.

What is the InChIKey of bis(4-[7-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-2-(propylamino)pyrrolo[2,3-d]pyrimidin-5-yl]cyclohexane-1-carbaldehyde);[4-[7-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-2-(propylamino)pyrrolo[2,3-d]pyrimidin-5-yl]cyclohexyl]methanol;ethyl 4-[7-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-2-(propylamino)pyrrolo[2,3-d]pyrimidin-5-yl]cyclohexane-1-carboxylate?

The InChIKey is KUYSJVNQEUXVOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H50N4O3Si.C28H48N4O2Si.2C28H46N4O2Si/c1-8-18-31-29-32-19-25-26(21-10-12-22(13-11-21)28(35)36-9-2)20-34(27(25)33-29)23-14-16-24(17-15-23)37-38(6,7)30(3,4)5;3*1-7-16-29-27-30-17-24-25(21-10-8-20(19-33)9-11-21)18-32(26(24)31-27)22-12-14-23(15-13-22)34-35(5,6)28(2,3)4/h19-24H,8-18H2,1-7H3,(H,31,32,33);17-18,20-23,33H,7-16,19H2,1-6H3,(H,29,30,31);2*17-23H,7-16H2,1-6H3,(H,29,30,31).

What are the key properties of bis(4-[7-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-2-(propylamino)pyrrolo[2,3-d]pyrimidin-5-yl]cyclohexane-1-carbaldehyde);[4-[7-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-2-(propylamino)pyrrolo[2,3-d]pyrimidin-5-yl]cyclohexyl]methanol;ethyl 4-[7-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-2-(propylamino)pyrrolo[2,3-d]pyrimidin-5-yl]cyclohexane-1-carboxylate?

bis(4-[7-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-2-(propylamino)pyrrolo[2,3-d]pyrimidin-5-yl]cyclohexane-1-carbaldehyde);[4-[7-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-2-(propylamino)pyrrolo[2,3-d]pyrimidin-5-yl]cyclohexyl]methanol;ethyl 4-[7-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-2-(propylamino)pyrrolo[2,3-d]pyrimidin-5-yl]cyclohexane-1-carboxylate has a molecular weight of 2041.22 g/mol, XLogP of 29.08, 33 rotatable bonds, 5 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for bis(4-[7-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-2-(propylamino)pyrrolo[2,3-d]pyrimidin-5-yl]cyclohexane-1-carbaldehyde);[4-[7-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-2-(propylamino)pyrrolo[2,3-d]pyrimidin-5-yl]cyclohexyl]methanol;ethyl 4-[7-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-2-(propylamino)pyrrolo[2,3-d]pyrimidin-5-yl]cyclohexane-1-carboxylate is sourced from PubChem (CID 167609325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).