2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-[4-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]pyrrolo[2,3-d]pyrimidin-7-yl]cyclopentan-1-ol

C27H38N4O2Si — CID 166640211

About 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-[4-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]pyrrolo[2,3-d]pyrimidin-7-yl]cyclopentan-1-ol

2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-[4-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]pyrrolo[2,3-d]pyrimidin-7-yl]cyclopentan-1-ol (PubChem CID 166640211) has the molecular formula C27H38N4O2Si and a molecular weight of 478.71 g/mol. Its IUPAC name is 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-[4-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]pyrrolo[2,3-d]pyrimidin-7-yl]cyclopentan-1-ol.

Molecular Properties

• Compound Name: 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-[4-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]pyrrolo[2,3-d]pyrimidin-7-yl]cyclopentan-1-ol
• PubChem CID: 166640211
• Molecular Formula: C27H38N4O2Si
• Molecular Weight: 478.71 g/mol
• Exact Mass: 478.28
• IUPAC Name: 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-[4-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]pyrrolo[2,3-d]pyrimidin-7-yl]cyclopentan-1-ol
• SMILES: CC(C)(C)[Si](C)(C)OCC1CC(n2ccc3c(N[C@H]4CCc5ccccc54)ncnc32)CC1O
• InChI: InChI=1S/C27H38N4O2Si/c1-27(2,3)34(4,5)33-16-19-14-20(15-24(19)32)31-13-12-22-25(28-17-29-26(22)31)30-23-11-10-18-8-6-7-9-21(18)23/h6-9,12-13,17,19-20,23-24,32H,10-11,14-16H2,1-5H3,(H,28,29,30)/t19?,20?,23-,24?/m0/s1
• InChIKey: UAYAGMPBGOBKJE-MVBUYRMLSA-N
• XLogP: 5.86
• TPSA: 72.20 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	478.71
LogP ≤ 5	5.86
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-[4-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]pyrrolo[2,3-d]pyrimidin-7-yl]cyclopentan-1-ol?

The IUPAC name of 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-[4-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]pyrrolo[2,3-d]pyrimidin-7-yl]cyclopentan-1-ol (CID 166640211) is 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-[4-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]pyrrolo[2,3-d]pyrimidin-7-yl]cyclopentan-1-ol.

What is the SMILES notation for 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-[4-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]pyrrolo[2,3-d]pyrimidin-7-yl]cyclopentan-1-ol?

The canonical SMILES for 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-[4-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]pyrrolo[2,3-d]pyrimidin-7-yl]cyclopentan-1-ol is CC(C)(C)[Si](C)(C)OCC1CC(n2ccc3c(N[C@H]4CCc5ccccc54)ncnc32)CC1O.

What is the InChIKey of 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-[4-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]pyrrolo[2,3-d]pyrimidin-7-yl]cyclopentan-1-ol?

The InChIKey is UAYAGMPBGOBKJE-MVBUYRMLSA-N. The full InChI is InChI=1S/C27H38N4O2Si/c1-27(2,3)34(4,5)33-16-19-14-20(15-24(19)32)31-13-12-22-25(28-17-29-26(22)31)30-23-11-10-18-8-6-7-9-21(18)23/h6-9,12-13,17,19-20,23-24,32H,10-11,14-16H2,1-5H3,(H,28,29,30)/t19?,20?,23-,24?/m0/s1.

What are the key properties of 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-[4-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]pyrrolo[2,3-d]pyrimidin-7-yl]cyclopentan-1-ol?

2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-[4-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]pyrrolo[2,3-d]pyrimidin-7-yl]cyclopentan-1-ol has a molecular weight of 478.71 g/mol, XLogP of 5.86, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-[4-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]pyrrolo[2,3-d]pyrimidin-7-yl]cyclopentan-1-ol is sourced from PubChem (CID 166640211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).