2'-[[tert-butyl(dimethyl)silyl]oxymethyl]-7'-(2-cyclopropylpyrimidin-5-yl)-4'-(methylamino)spiro[cyclopentane-1,5'-pyrrolo[2,3-d]pyrimidine]-6'-one

C25H36N6O2Si — CID 177284571

About 2'-[[tert-butyl(dimethyl)silyl]oxymethyl]-7'-(2-cyclopropylpyrimidin-5-yl)-4'-(methylamino)spiro[cyclopentane-1,5'-pyrrolo[2,3-d]pyrimidine]-6'-one

2'-[[tert-butyl(dimethyl)silyl]oxymethyl]-7'-(2-cyclopropylpyrimidin-5-yl)-4'-(methylamino)spiro[cyclopentane-1,5'-pyrrolo[2,3-d]pyrimidine]-6'-one (PubChem CID 177284571) has the molecular formula C25H36N6O2Si and a molecular weight of 480.69 g/mol. Its IUPAC name is 2'-[[tert-butyl(dimethyl)silyl]oxymethyl]-7'-(2-cyclopropylpyrimidin-5-yl)-4'-(methylamino)spiro[cyclopentane-1,5'-pyrrolo[2,3-d]pyrimidine]-6'-one.

Molecular Properties

• Compound Name: 2'-[[tert-butyl(dimethyl)silyl]oxymethyl]-7'-(2-cyclopropylpyrimidin-5-yl)-4'-(methylamino)spiro[cyclopentane-1,5'-pyrrolo[2,3-d]pyrimidine]-6'-one
• PubChem CID: 177284571
• Molecular Formula: C25H36N6O2Si
• Molecular Weight: 480.69 g/mol
• Exact Mass: 480.27
• IUPAC Name: 2'-[[tert-butyl(dimethyl)silyl]oxymethyl]-7'-(2-cyclopropylpyrimidin-5-yl)-4'-(methylamino)spiro[cyclopentane-1,5'-pyrrolo[2,3-d]pyrimidine]-6'-one
• SMILES: CNc1nc(CO[Si](C)(C)C(C)(C)C)nc2c1C1(CCCC1)C(=O)N2c1cnc(C2CC2)nc1
• InChI: InChI=1S/C25H36N6O2Si/c1-24(2,3)34(5,6)33-15-18-29-21(26-4)19-22(30-18)31(23(32)25(19)11-7-8-12-25)17-13-27-20(28-14-17)16-9-10-16/h13-14,16H,7-12,15H2,1-6H3,(H,26,29,30)
• InChIKey: RSFBLXFEUVNXCR-UHFFFAOYSA-N
• XLogP: 5.20
• TPSA: 93.13 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	480.69
LogP ≤ 5	5.20
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 2'-[[tert-butyl(dimethyl)silyl]oxymethyl]-7'-(2-cyclopropylpyrimidin-5-yl)-4'-(methylamino)spiro[cyclopentane-1,5'-pyrrolo[2,3-d]pyrimidine]-6'-one?

The IUPAC name of 2'-[[tert-butyl(dimethyl)silyl]oxymethyl]-7'-(2-cyclopropylpyrimidin-5-yl)-4'-(methylamino)spiro[cyclopentane-1,5'-pyrrolo[2,3-d]pyrimidine]-6'-one (CID 177284571) is 2'-[[tert-butyl(dimethyl)silyl]oxymethyl]-7'-(2-cyclopropylpyrimidin-5-yl)-4'-(methylamino)spiro[cyclopentane-1,5'-pyrrolo[2,3-d]pyrimidine]-6'-one.

What is the SMILES notation for 2'-[[tert-butyl(dimethyl)silyl]oxymethyl]-7'-(2-cyclopropylpyrimidin-5-yl)-4'-(methylamino)spiro[cyclopentane-1,5'-pyrrolo[2,3-d]pyrimidine]-6'-one?

The canonical SMILES for 2'-[[tert-butyl(dimethyl)silyl]oxymethyl]-7'-(2-cyclopropylpyrimidin-5-yl)-4'-(methylamino)spiro[cyclopentane-1,5'-pyrrolo[2,3-d]pyrimidine]-6'-one is CNc1nc(CO[Si](C)(C)C(C)(C)C)nc2c1C1(CCCC1)C(=O)N2c1cnc(C2CC2)nc1.

What is the InChIKey of 2'-[[tert-butyl(dimethyl)silyl]oxymethyl]-7'-(2-cyclopropylpyrimidin-5-yl)-4'-(methylamino)spiro[cyclopentane-1,5'-pyrrolo[2,3-d]pyrimidine]-6'-one?

The InChIKey is RSFBLXFEUVNXCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N6O2Si/c1-24(2,3)34(5,6)33-15-18-29-21(26-4)19-22(30-18)31(23(32)25(19)11-7-8-12-25)17-13-27-20(28-14-17)16-9-10-16/h13-14,16H,7-12,15H2,1-6H3,(H,26,29,30).

What are the key properties of 2'-[[tert-butyl(dimethyl)silyl]oxymethyl]-7'-(2-cyclopropylpyrimidin-5-yl)-4'-(methylamino)spiro[cyclopentane-1,5'-pyrrolo[2,3-d]pyrimidine]-6'-one?

2'-[[tert-butyl(dimethyl)silyl]oxymethyl]-7'-(2-cyclopropylpyrimidin-5-yl)-4'-(methylamino)spiro[cyclopentane-1,5'-pyrrolo[2,3-d]pyrimidine]-6'-one has a molecular weight of 480.69 g/mol, XLogP of 5.20, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2'-[[tert-butyl(dimethyl)silyl]oxymethyl]-7'-(2-cyclopropylpyrimidin-5-yl)-4'-(methylamino)spiro[cyclopentane-1,5'-pyrrolo[2,3-d]pyrimidine]-6'-one is sourced from PubChem (CID 177284571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).