5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-chloro-7-(2,3-dihydrofuro[3,2-c]pyridin-4-ylmethyl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-amine

C21H30ClN5O2Si — CID 87578038

About 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-chloro-7-(2,3-dihydrofuro[3,2-c]pyridin-4-ylmethyl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-amine

5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-chloro-7-(2,3-dihydrofuro[3,2-c]pyridin-4-ylmethyl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-amine (PubChem CID 87578038) has the molecular formula C21H30ClN5O2Si and a molecular weight of 448.04 g/mol. Its IUPAC name is 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-chloro-7-(2,3-dihydrofuro[3,2-c]pyridin-4-ylmethyl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-amine.

Molecular Properties

• Compound Name: 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-chloro-7-(2,3-dihydrofuro[3,2-c]pyridin-4-ylmethyl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-amine
• PubChem CID: 87578038
• Molecular Formula: C21H30ClN5O2Si
• Molecular Weight: 448.04 g/mol
• Exact Mass: 447.19
• IUPAC Name: 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-chloro-7-(2,3-dihydrofuro[3,2-c]pyridin-4-ylmethyl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-amine
• SMILES: CC(C)(C)[Si](C)(C)OCC1CN(Cc2nccc3c2CCO3)c2nc(N)nc(Cl)c21
• InChI: InChI=1S/C21H30ClN5O2Si/c1-21(2,3)30(4,5)29-12-13-10-27(19-17(13)18(22)25-20(23)26-19)11-15-14-7-9-28-16(14)6-8-24-15/h6,8,13H,7,9-12H2,1-5H3,(H2,23,25,26)
• InChIKey: UOKVOTOUCCQAGA-UHFFFAOYSA-N
• XLogP: 4.17
• TPSA: 86.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	448.04
LogP ≤ 5	4.17
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-chloro-7-(2,3-dihydrofuro[3,2-c]pyridin-4-ylmethyl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-amine?

The IUPAC name of 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-chloro-7-(2,3-dihydrofuro[3,2-c]pyridin-4-ylmethyl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-amine (CID 87578038) is 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-chloro-7-(2,3-dihydrofuro[3,2-c]pyridin-4-ylmethyl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-amine.

What is the SMILES notation for 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-chloro-7-(2,3-dihydrofuro[3,2-c]pyridin-4-ylmethyl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-amine?

The canonical SMILES for 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-chloro-7-(2,3-dihydrofuro[3,2-c]pyridin-4-ylmethyl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-amine is CC(C)(C)[Si](C)(C)OCC1CN(Cc2nccc3c2CCO3)c2nc(N)nc(Cl)c21.

What is the InChIKey of 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-chloro-7-(2,3-dihydrofuro[3,2-c]pyridin-4-ylmethyl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-amine?

The InChIKey is UOKVOTOUCCQAGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30ClN5O2Si/c1-21(2,3)30(4,5)29-12-13-10-27(19-17(13)18(22)25-20(23)26-19)11-15-14-7-9-28-16(14)6-8-24-15/h6,8,13H,7,9-12H2,1-5H3,(H2,23,25,26).

What are the key properties of 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-chloro-7-(2,3-dihydrofuro[3,2-c]pyridin-4-ylmethyl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-amine?

5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-chloro-7-(2,3-dihydrofuro[3,2-c]pyridin-4-ylmethyl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-amine has a molecular weight of 448.04 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-chloro-7-(2,3-dihydrofuro[3,2-c]pyridin-4-ylmethyl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 87578038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).