tert-butyl-dimethyl-[[7-(4-phenoxyphenyl)spiro[6H-pyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-2-yl]methoxy]silane

C27H33N3O2Si — CID 175988696

About tert-butyl-dimethyl-[[7-(4-phenoxyphenyl)spiro[6H-pyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-2-yl]methoxy]silane

tert-butyl-dimethyl-[[7-(4-phenoxyphenyl)spiro[6H-pyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-2-yl]methoxy]silane (PubChem CID 175988696) has the molecular formula C27H33N3O2Si and a molecular weight of 459.67 g/mol. Its IUPAC name is tert-butyl-dimethyl-[[7-(4-phenoxyphenyl)spiro[6H-pyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-2-yl]methoxy]silane.

Molecular Properties

• Compound Name: tert-butyl-dimethyl-[[7-(4-phenoxyphenyl)spiro[6H-pyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-2-yl]methoxy]silane
• PubChem CID: 175988696
• Molecular Formula: C27H33N3O2Si
• Molecular Weight: 459.67 g/mol
• Exact Mass: 459.23
• IUPAC Name: tert-butyl-dimethyl-[[7-(4-phenoxyphenyl)spiro[6H-pyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-2-yl]methoxy]silane
• SMILES: CC(C)(C)[Si](C)(C)OCc1ncc2c(n1)N(c1ccc(Oc3ccccc3)cc1)CC21CC1
• InChI: InChI=1S/C27H33N3O2Si/c1-26(2,3)33(4,5)31-18-24-28-17-23-25(29-24)30(19-27(23)15-16-27)20-11-13-22(14-12-20)32-21-9-7-6-8-10-21/h6-14,17H,15-16,18-19H2,1-5H3
• InChIKey: DMUDZYXLQMTPGE-UHFFFAOYSA-N
• XLogP: 6.97
• TPSA: 47.48 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	459.67
LogP ≤ 5	6.97
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[[7-(4-phenoxyphenyl)spiro[6H-pyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-2-yl]methoxy]silane?

The IUPAC name of tert-butyl-dimethyl-[[7-(4-phenoxyphenyl)spiro[6H-pyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-2-yl]methoxy]silane (CID 175988696) is tert-butyl-dimethyl-[[7-(4-phenoxyphenyl)spiro[6H-pyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-2-yl]methoxy]silane.

What is the SMILES notation for tert-butyl-dimethyl-[[7-(4-phenoxyphenyl)spiro[6H-pyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-2-yl]methoxy]silane?

The canonical SMILES for tert-butyl-dimethyl-[[7-(4-phenoxyphenyl)spiro[6H-pyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-2-yl]methoxy]silane is CC(C)(C)[Si](C)(C)OCc1ncc2c(n1)N(c1ccc(Oc3ccccc3)cc1)CC21CC1.

What is the InChIKey of tert-butyl-dimethyl-[[7-(4-phenoxyphenyl)spiro[6H-pyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-2-yl]methoxy]silane?

The InChIKey is DMUDZYXLQMTPGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N3O2Si/c1-26(2,3)33(4,5)31-18-24-28-17-23-25(29-24)30(19-27(23)15-16-27)20-11-13-22(14-12-20)32-21-9-7-6-8-10-21/h6-14,17H,15-16,18-19H2,1-5H3.

What are the key properties of tert-butyl-dimethyl-[[7-(4-phenoxyphenyl)spiro[6H-pyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-2-yl]methoxy]silane?

tert-butyl-dimethyl-[[7-(4-phenoxyphenyl)spiro[6H-pyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-2-yl]methoxy]silane has a molecular weight of 459.67 g/mol, XLogP of 6.97, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-dimethyl-[[7-(4-phenoxyphenyl)spiro[6H-pyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-2-yl]methoxy]silane is sourced from PubChem (CID 175988696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).