[5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-chloro-4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-fluorophenyl]-pyrimidin-4-ylmethanone

C34H37ClFN3O3Si — CID 86717859

About [5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-chloro-4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-fluorophenyl]-pyrimidin-4-ylmethanone

[5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-chloro-4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-fluorophenyl]-pyrimidin-4-ylmethanone (PubChem CID 86717859) has the molecular formula C34H37ClFN3O3Si and a molecular weight of 618.23 g/mol. Its IUPAC name is [5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-chloro-4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-fluorophenyl]-pyrimidin-4-ylmethanone.

Molecular Properties

• Compound Name: [5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-chloro-4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-fluorophenyl]-pyrimidin-4-ylmethanone
• PubChem CID: 86717859
• Molecular Formula: C34H37ClFN3O3Si
• Molecular Weight: 618.23 g/mol
• Exact Mass: 617.23
• IUPAC Name: [5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-chloro-4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-fluorophenyl]-pyrimidin-4-ylmethanone
• SMILES: C[C@@H]1CN(c2c(CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)cc(C(=O)c3ccncn3)c(F)c2Cl)C[C@H](C)O1
• InChI: InChI=1S/C34H37ClFN3O3Si/c1-23-19-39(20-24(2)42-23)32-25(18-28(31(36)30(32)35)33(40)29-16-17-37-22-38-29)21-41-43(34(3,4)5,26-12-8-6-9-13-26)27-14-10-7-11-15-27/h6-18,22-24H,19-21H2,1-5H3/t23-,24+
• InChIKey: LAMJEWIURNWYNX-PSWAGMNNSA-N
• XLogP: 6.19
• TPSA: 64.55 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	618.23
LogP ≤ 5	6.19
H-Bond Donors ≤ 5	0
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 [5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-chloro-4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-fluorophenyl]-pyrimidin-4-ylmethanone?

The IUPAC name of [5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-chloro-4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-fluorophenyl]-pyrimidin-4-ylmethanone (CID 86717859) is [5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-chloro-4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-fluorophenyl]-pyrimidin-4-ylmethanone.

What is the SMILES notation for [5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-chloro-4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-fluorophenyl]-pyrimidin-4-ylmethanone?

The canonical SMILES for [5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-chloro-4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-fluorophenyl]-pyrimidin-4-ylmethanone is C[C@@H]1CN(c2c(CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)cc(C(=O)c3ccncn3)c(F)c2Cl)C[C@H](C)O1.

What is the InChIKey of [5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-chloro-4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-fluorophenyl]-pyrimidin-4-ylmethanone?

The InChIKey is LAMJEWIURNWYNX-PSWAGMNNSA-N. The full InChI is InChI=1S/C34H37ClFN3O3Si/c1-23-19-39(20-24(2)42-23)32-25(18-28(31(36)30(32)35)33(40)29-16-17-37-22-38-29)21-41-43(34(3,4)5,26-12-8-6-9-13-26)27-14-10-7-11-15-27/h6-18,22-24H,19-21H2,1-5H3/t23-,24+.

What are the key properties of [5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-chloro-4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-fluorophenyl]-pyrimidin-4-ylmethanone?

[5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-chloro-4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-fluorophenyl]-pyrimidin-4-ylmethanone has a molecular weight of 618.23 g/mol, XLogP of 6.19, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-chloro-4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-fluorophenyl]-pyrimidin-4-ylmethanone is sourced from PubChem (CID 86717859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).