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

C27H38N6O3Si — CID 176889060

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

2'-[[tert-butyl(dimethyl)silyl]oxymethyl]-7'-[2-(3,6-dihydro-2H-pyran-4-yl)pyrimidin-5-yl]-4'-(methylamino)spiro[cyclopentane-1,5'-pyrrolo[2,3-d]pyrimidine]-6'-one (PubChem CID 176889060) has the molecular formula C27H38N6O3Si and a molecular weight of 522.73 g/mol. Its IUPAC name is 2'-[[tert-butyl(dimethyl)silyl]oxymethyl]-7'-[2-(3,6-dihydro-2H-pyran-4-yl)pyrimidin-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-(3,6-dihydro-2H-pyran-4-yl)pyrimidin-5-yl]-4'-(methylamino)spiro[cyclopentane-1,5'-pyrrolo[2,3-d]pyrimidine]-6'-one
• PubChem CID: 176889060
• Molecular Formula: C27H38N6O3Si
• Molecular Weight: 522.73 g/mol
• Exact Mass: 522.28
• IUPAC Name: 2'-[[tert-butyl(dimethyl)silyl]oxymethyl]-7'-[2-(3,6-dihydro-2H-pyran-4-yl)pyrimidin-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(C2=CCOCC2)nc1
• InChI: InChI=1S/C27H38N6O3Si/c1-26(2,3)37(5,6)36-17-20-31-23(28-4)21-24(32-20)33(25(34)27(21)11-7-8-12-27)19-15-29-22(30-16-19)18-9-13-35-14-10-18/h9,15-16H,7-8,10-14,17H2,1-6H3,(H,28,31,32)
• InChIKey: QGXJONOKLRGUMC-UHFFFAOYSA-N
• XLogP: 5.12
• TPSA: 102.36 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	522.73
LogP ≤ 5	5.12
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

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-(3,6-dihydro-2H-pyran-4-yl)pyrimidin-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-(3,6-dihydro-2H-pyran-4-yl)pyrimidin-5-yl]-4'-(methylamino)spiro[cyclopentane-1,5'-pyrrolo[2,3-d]pyrimidine]-6'-one (CID 176889060) is 2'-[[tert-butyl(dimethyl)silyl]oxymethyl]-7'-[2-(3,6-dihydro-2H-pyran-4-yl)pyrimidin-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-(3,6-dihydro-2H-pyran-4-yl)pyrimidin-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-(3,6-dihydro-2H-pyran-4-yl)pyrimidin-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(C2=CCOCC2)nc1.

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

The InChIKey is QGXJONOKLRGUMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H38N6O3Si/c1-26(2,3)37(5,6)36-17-20-31-23(28-4)21-24(32-20)33(25(34)27(21)11-7-8-12-27)19-15-29-22(30-16-19)18-9-13-35-14-10-18/h9,15-16H,7-8,10-14,17H2,1-6H3,(H,28,31,32).

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

2'-[[tert-butyl(dimethyl)silyl]oxymethyl]-7'-[2-(3,6-dihydro-2H-pyran-4-yl)pyrimidin-5-yl]-4'-(methylamino)spiro[cyclopentane-1,5'-pyrrolo[2,3-d]pyrimidine]-6'-one has a molecular weight of 522.73 g/mol, XLogP of 5.12, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2'-[[tert-butyl(dimethyl)silyl]oxymethyl]-7'-[2-(3,6-dihydro-2H-pyran-4-yl)pyrimidin-5-yl]-4'-(methylamino)spiro[cyclopentane-1,5'-pyrrolo[2,3-d]pyrimidine]-6'-one is sourced from PubChem (CID 176889060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).