2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-chloro-5,5-dimethyl-7-[4-(2-oxopiperidin-1-yl)phenyl]pyrrolo[2,3-d]pyrimidin-6-one

C26H35ClN4O3Si — CID 177284615

About 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-chloro-5,5-dimethyl-7-[4-(2-oxopiperidin-1-yl)phenyl]pyrrolo[2,3-d]pyrimidin-6-one

2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-chloro-5,5-dimethyl-7-[4-(2-oxopiperidin-1-yl)phenyl]pyrrolo[2,3-d]pyrimidin-6-one (PubChem CID 177284615) has the molecular formula C26H35ClN4O3Si and a molecular weight of 515.13 g/mol. Its IUPAC name is 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-chloro-5,5-dimethyl-7-[4-(2-oxopiperidin-1-yl)phenyl]pyrrolo[2,3-d]pyrimidin-6-one.

Molecular Properties

• Compound Name: 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-chloro-5,5-dimethyl-7-[4-(2-oxopiperidin-1-yl)phenyl]pyrrolo[2,3-d]pyrimidin-6-one
• PubChem CID: 177284615
• Molecular Formula: C26H35ClN4O3Si
• Molecular Weight: 515.13 g/mol
• Exact Mass: 514.22
• IUPAC Name: 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-chloro-5,5-dimethyl-7-[4-(2-oxopiperidin-1-yl)phenyl]pyrrolo[2,3-d]pyrimidin-6-one
• SMILES: CC1(C)C(=O)N(c2ccc(N3CCCCC3=O)cc2)c2nc(CO[Si](C)(C)C(C)(C)C)nc(Cl)c21
• InChI: InChI=1S/C26H35ClN4O3Si/c1-25(2,3)35(6,7)34-16-19-28-22(27)21-23(29-19)31(24(33)26(21,4)5)18-13-11-17(12-14-18)30-15-9-8-10-20(30)32/h11-14H,8-10,15-16H2,1-7H3
• InChIKey: GGMFNXGUJLJCRG-UHFFFAOYSA-N
• XLogP: 6.12
• TPSA: 75.63 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	515.13
LogP ≤ 5	6.12
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 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-chloro-5,5-dimethyl-7-[4-(2-oxopiperidin-1-yl)phenyl]pyrrolo[2,3-d]pyrimidin-6-one?

The IUPAC name of 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-chloro-5,5-dimethyl-7-[4-(2-oxopiperidin-1-yl)phenyl]pyrrolo[2,3-d]pyrimidin-6-one (CID 177284615) is 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-chloro-5,5-dimethyl-7-[4-(2-oxopiperidin-1-yl)phenyl]pyrrolo[2,3-d]pyrimidin-6-one.

What is the SMILES notation for 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-chloro-5,5-dimethyl-7-[4-(2-oxopiperidin-1-yl)phenyl]pyrrolo[2,3-d]pyrimidin-6-one?

The canonical SMILES for 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-chloro-5,5-dimethyl-7-[4-(2-oxopiperidin-1-yl)phenyl]pyrrolo[2,3-d]pyrimidin-6-one is CC1(C)C(=O)N(c2ccc(N3CCCCC3=O)cc2)c2nc(CO[Si](C)(C)C(C)(C)C)nc(Cl)c21.

What is the InChIKey of 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-chloro-5,5-dimethyl-7-[4-(2-oxopiperidin-1-yl)phenyl]pyrrolo[2,3-d]pyrimidin-6-one?

The InChIKey is GGMFNXGUJLJCRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35ClN4O3Si/c1-25(2,3)35(6,7)34-16-19-28-22(27)21-23(29-19)31(24(33)26(21,4)5)18-13-11-17(12-14-18)30-15-9-8-10-20(30)32/h11-14H,8-10,15-16H2,1-7H3.

What are the key properties of 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-chloro-5,5-dimethyl-7-[4-(2-oxopiperidin-1-yl)phenyl]pyrrolo[2,3-d]pyrimidin-6-one?

2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-chloro-5,5-dimethyl-7-[4-(2-oxopiperidin-1-yl)phenyl]pyrrolo[2,3-d]pyrimidin-6-one has a molecular weight of 515.13 g/mol, XLogP of 6.12, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-chloro-5,5-dimethyl-7-[4-(2-oxopiperidin-1-yl)phenyl]pyrrolo[2,3-d]pyrimidin-6-one is sourced from PubChem (CID 177284615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).