N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4,6-dichloro-N-[3-chloro-4-[2-oxo-3-(2,2,2-trifluoroethyl)imidazolidin-1-yl]phenyl]pyrimidine-5-carboxamide

C24H29Cl3F3N5O3Si — CID 123243117

About N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4,6-dichloro-N-[3-chloro-4-[2-oxo-3-(2,2,2-trifluoroethyl)imidazolidin-1-yl]phenyl]pyrimidine-5-carboxamide

N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4,6-dichloro-N-[3-chloro-4-[2-oxo-3-(2,2,2-trifluoroethyl)imidazolidin-1-yl]phenyl]pyrimidine-5-carboxamide (PubChem CID 123243117) has the molecular formula C24H29Cl3F3N5O3Si and a molecular weight of 626.97 g/mol. Its IUPAC name is N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4,6-dichloro-N-[3-chloro-4-[2-oxo-3-(2,2,2-trifluoroethyl)imidazolidin-1-yl]phenyl]pyrimidine-5-carboxamide.

Molecular Properties

• Compound Name: N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4,6-dichloro-N-[3-chloro-4-[2-oxo-3-(2,2,2-trifluoroethyl)imidazolidin-1-yl]phenyl]pyrimidine-5-carboxamide
• PubChem CID: 123243117
• Molecular Formula: C24H29Cl3F3N5O3Si
• Molecular Weight: 626.97 g/mol
• Exact Mass: 625.11
• IUPAC Name: N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4,6-dichloro-N-[3-chloro-4-[2-oxo-3-(2,2,2-trifluoroethyl)imidazolidin-1-yl]phenyl]pyrimidine-5-carboxamide
• SMILES: CC(C)(C)[Si](C)(C)OCCN(C(=O)c1c(Cl)ncnc1Cl)c1ccc(N2CCN(CC(F)(F)F)C2=O)c(Cl)c1
• InChI: InChI=1S/C24H29Cl3F3N5O3Si/c1-23(2,3)39(4,5)38-11-10-34(21(36)18-19(26)31-14-32-20(18)27)15-6-7-17(16(25)12-15)35-9-8-33(22(35)37)13-24(28,29)30/h6-7,12,14H,8-11,13H2,1-5H3
• InChIKey: CYULRHKSEOCXCY-UHFFFAOYSA-N
• XLogP: 6.91
• TPSA: 78.87 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	626.97
LogP ≤ 5	6.91
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 N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4,6-dichloro-N-[3-chloro-4-[2-oxo-3-(2,2,2-trifluoroethyl)imidazolidin-1-yl]phenyl]pyrimidine-5-carboxamide?

The IUPAC name of N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4,6-dichloro-N-[3-chloro-4-[2-oxo-3-(2,2,2-trifluoroethyl)imidazolidin-1-yl]phenyl]pyrimidine-5-carboxamide (CID 123243117) is N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4,6-dichloro-N-[3-chloro-4-[2-oxo-3-(2,2,2-trifluoroethyl)imidazolidin-1-yl]phenyl]pyrimidine-5-carboxamide.

What is the SMILES notation for N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4,6-dichloro-N-[3-chloro-4-[2-oxo-3-(2,2,2-trifluoroethyl)imidazolidin-1-yl]phenyl]pyrimidine-5-carboxamide?

The canonical SMILES for N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4,6-dichloro-N-[3-chloro-4-[2-oxo-3-(2,2,2-trifluoroethyl)imidazolidin-1-yl]phenyl]pyrimidine-5-carboxamide is CC(C)(C)[Si](C)(C)OCCN(C(=O)c1c(Cl)ncnc1Cl)c1ccc(N2CCN(CC(F)(F)F)C2=O)c(Cl)c1.

What is the InChIKey of N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4,6-dichloro-N-[3-chloro-4-[2-oxo-3-(2,2,2-trifluoroethyl)imidazolidin-1-yl]phenyl]pyrimidine-5-carboxamide?

The InChIKey is CYULRHKSEOCXCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29Cl3F3N5O3Si/c1-23(2,3)39(4,5)38-11-10-34(21(36)18-19(26)31-14-32-20(18)27)15-6-7-17(16(25)12-15)35-9-8-33(22(35)37)13-24(28,29)30/h6-7,12,14H,8-11,13H2,1-5H3.

What are the key properties of N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4,6-dichloro-N-[3-chloro-4-[2-oxo-3-(2,2,2-trifluoroethyl)imidazolidin-1-yl]phenyl]pyrimidine-5-carboxamide?

N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4,6-dichloro-N-[3-chloro-4-[2-oxo-3-(2,2,2-trifluoroethyl)imidazolidin-1-yl]phenyl]pyrimidine-5-carboxamide has a molecular weight of 626.97 g/mol, XLogP of 6.91, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4,6-dichloro-N-[3-chloro-4-[2-oxo-3-(2,2,2-trifluoroethyl)imidazolidin-1-yl]phenyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 123243117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).