ethyl 2-[3-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl-(4,6-dichloropyrimidine-5-carbonyl)amino]-2-fluorophenyl]-2-oxoimidazolidin-1-yl]acetate

C26H34Cl2FN5O5Si — CID 123953704

About ethyl 2-[3-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl-(4,6-dichloropyrimidine-5-carbonyl)amino]-2-fluorophenyl]-2-oxoimidazolidin-1-yl]acetate

ethyl 2-[3-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl-(4,6-dichloropyrimidine-5-carbonyl)amino]-2-fluorophenyl]-2-oxoimidazolidin-1-yl]acetate (PubChem CID 123953704) has the molecular formula C26H34Cl2FN5O5Si and a molecular weight of 614.58 g/mol. Its IUPAC name is ethyl 2-[3-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl-(4,6-dichloropyrimidine-5-carbonyl)amino]-2-fluorophenyl]-2-oxoimidazolidin-1-yl]acetate.

Molecular Properties

• Compound Name: ethyl 2-[3-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl-(4,6-dichloropyrimidine-5-carbonyl)amino]-2-fluorophenyl]-2-oxoimidazolidin-1-yl]acetate
• PubChem CID: 123953704
• Molecular Formula: C26H34Cl2FN5O5Si
• Molecular Weight: 614.58 g/mol
• Exact Mass: 613.17
• IUPAC Name: ethyl 2-[3-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl-(4,6-dichloropyrimidine-5-carbonyl)amino]-2-fluorophenyl]-2-oxoimidazolidin-1-yl]acetate
• SMILES: CCOC(=O)CN1CCN(c2ccc(N(CCO[Si](C)(C)C(C)(C)C)C(=O)c3c(Cl)ncnc3Cl)cc2F)C1=O
• InChI: InChI=1S/C26H34Cl2FN5O5Si/c1-7-38-20(35)15-32-10-11-34(25(32)37)19-9-8-17(14-18(19)29)33(12-13-39-40(5,6)26(2,3)4)24(36)21-22(27)30-16-31-23(21)28/h8-9,14,16H,7,10-13,15H2,1-6H3
• InChIKey: HXSOARAMXTUHOH-UHFFFAOYSA-N
• XLogP: 5.40
• TPSA: 105.17 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	614.58
LogP ≤ 5	5.40
H-Bond Donors ≤ 5	0
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 ethyl 2-[3-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl-(4,6-dichloropyrimidine-5-carbonyl)amino]-2-fluorophenyl]-2-oxoimidazolidin-1-yl]acetate?

The IUPAC name of ethyl 2-[3-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl-(4,6-dichloropyrimidine-5-carbonyl)amino]-2-fluorophenyl]-2-oxoimidazolidin-1-yl]acetate (CID 123953704) is ethyl 2-[3-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl-(4,6-dichloropyrimidine-5-carbonyl)amino]-2-fluorophenyl]-2-oxoimidazolidin-1-yl]acetate.

What is the SMILES notation for ethyl 2-[3-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl-(4,6-dichloropyrimidine-5-carbonyl)amino]-2-fluorophenyl]-2-oxoimidazolidin-1-yl]acetate?

The canonical SMILES for ethyl 2-[3-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl-(4,6-dichloropyrimidine-5-carbonyl)amino]-2-fluorophenyl]-2-oxoimidazolidin-1-yl]acetate is CCOC(=O)CN1CCN(c2ccc(N(CCO[Si](C)(C)C(C)(C)C)C(=O)c3c(Cl)ncnc3Cl)cc2F)C1=O.

What is the InChIKey of ethyl 2-[3-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl-(4,6-dichloropyrimidine-5-carbonyl)amino]-2-fluorophenyl]-2-oxoimidazolidin-1-yl]acetate?

The InChIKey is HXSOARAMXTUHOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34Cl2FN5O5Si/c1-7-38-20(35)15-32-10-11-34(25(32)37)19-9-8-17(14-18(19)29)33(12-13-39-40(5,6)26(2,3)4)24(36)21-22(27)30-16-31-23(21)28/h8-9,14,16H,7,10-13,15H2,1-6H3.

What are the key properties of ethyl 2-[3-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl-(4,6-dichloropyrimidine-5-carbonyl)amino]-2-fluorophenyl]-2-oxoimidazolidin-1-yl]acetate?

ethyl 2-[3-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl-(4,6-dichloropyrimidine-5-carbonyl)amino]-2-fluorophenyl]-2-oxoimidazolidin-1-yl]acetate has a molecular weight of 614.58 g/mol, XLogP of 5.40, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 2-[3-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl-(4,6-dichloropyrimidine-5-carbonyl)amino]-2-fluorophenyl]-2-oxoimidazolidin-1-yl]acetate is sourced from PubChem (CID 123953704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).