(4S)-1-[5-[[2,6-bis(trifluoromethyl)phenyl]methoxy]pyrimidin-2-yl]-4-[[tert-butyl(dimethyl)silyl]oxymethyl]imidazolidin-2-one

C23H28F6N4O3Si — CID 175982322

IUPAC(4S)-1-[5-[[2,6-bis(trifluoromethyl)phenyl]methoxy]pyrimidin-2-yl]-4-[[tert-butyl(dimethyl)silyl]oxymethyl]imidazolidin-2-one
SMILESCC(C)(C)[Si](C)(C)OC[C@@H]1CN(c2ncc(OCc3c(C(F)(F)F)cccc3C(F)(F)F)cn2)C(=O)N1
InChIInChI=1S/C23H28F6N4O3Si/c1-21(2,3)37(4,5)36-12-14-11-33(20(34)32-14)19-30-9-15(10-31-19)35-13-16-17(22(24,25)26)7-6-8-18(16)23(27,28)29/h6-10,14H,11-13H2,1-5H3,(H,32,34)/t14-/m0/s1
InChIKeyLWIIYURHPYXBEO-AWEZNQCLSA-N
MW550.58 g/mol
LogP6.01
Rot. Bonds7

About (4S)-1-[5-[[2,6-bis(trifluoromethyl)phenyl]methoxy]pyrimidin-2-yl]-4-[[tert-butyl(dimethyl)silyl]oxymethyl]imidazolidin-2-one

(4S)-1-[5-[[2,6-bis(trifluoromethyl)phenyl]methoxy]pyrimidin-2-yl]-4-[[tert-butyl(dimethyl)silyl]oxymethyl]imidazolidin-2-one (PubChem CID 175982322) has the molecular formula C23H28F6N4O3Si and a molecular weight of 550.58 g/mol. Its IUPAC name is (4S)-1-[5-[[2,6-bis(trifluoromethyl)phenyl]methoxy]pyrimidin-2-yl]-4-[[tert-butyl(dimethyl)silyl]oxymethyl]imidazolidin-2-one.

Molecular Properties

Compound Name(4S)-1-[5-[[2,6-bis(trifluoromethyl)phenyl]methoxy]pyrimidin-2-yl]-4-[[tert-butyl(dimethyl)silyl]oxymethyl]imidazolidin-2-one
PubChem CID175982322
Molecular FormulaC23H28F6N4O3Si
Molecular Weight550.58 g/mol
Exact Mass550.18
IUPAC Name(4S)-1-[5-[[2,6-bis(trifluoromethyl)phenyl]methoxy]pyrimidin-2-yl]-4-[[tert-butyl(dimethyl)silyl]oxymethyl]imidazolidin-2-one
SMILESCC(C)(C)[Si](C)(C)OC[C@@H]1CN(c2ncc(OCc3c(C(F)(F)F)cccc3C(F)(F)F)cn2)C(=O)N1
InChIInChI=1S/C23H28F6N4O3Si/c1-21(2,3)37(4,5)36-12-14-11-33(20(34)32-14)19-30-9-15(10-31-19)35-13-16-17(22(24,25)26)7-6-8-18(16)23(27,28)29/h6-10,14H,11-13H2,1-5H3,(H,32,34)/t14-/m0/s1
InChIKeyLWIIYURHPYXBEO-AWEZNQCLSA-N
XLogP6.01
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.58
LogP ≤ 56.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

(4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[5-[[2-chloro-6-(trifluoromethyl)phenyl]methoxy]pyrimidin-2-yl]imidazolidin-2-one
CID 175982314
1-[5-[[2-bromo-6-(1,1-difluoroethyl)phenyl]methoxy]-2-pyridinyl]-4-(hydroxymethyl)imidazolidin-2-one
CID 176828936
4-[5-[[2-chloro-6-(trifluoromethyl)phenyl]methoxy]pyrimidin-2-yl]piperazine-1-carboxamide
CID 170608664
3-[[2-bromo-6-(trifluoromethyl)phenyl]methoxy]propoxy-tert-butyl-dimethylsilane
CID 177342781
1-[5-[[2-chloro-6-(trifluoromethyl)phenyl]methoxy]pyrimidin-2-yl]-1,2,4-triazole-3-carboxylic acid
CID 170609018
(4R)-1-[5-[(2,6-dichlorophenyl)methoxy]-2-pyridinyl]-4-(hydroxymethyl)imidazolidin-2-one
CID 170608817
2-[[3-[tert-butyl(dimethyl)silyl]oxypyrrolidin-1-yl]methyl]-3-(trifluoromethyl)aniline
CID 140828921
3-[5-[[2-chloro-6-(trifluoromethyl)phenyl]methoxy]-2-pyridinyl]-1,3-oxazolidin-2-one
CID 170609039
tert-butyl-dimethyl-[[(2R)-1,2,3,4-tetrahydroquinolin-2-yl]methoxy]silane
CID 132820205
(3S,4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-phenylazetidin-2-one
CID 135070018
5-[[2-methyl-6-(trifluoromethyl)phenyl]methoxy]-2-(4-pyridin-2-yltriazol-1-yl)pyrimidine
CID 170608532
tert-butyl N-[1-[5-[[2-chloro-6-(trifluoromethyl)phenyl]methoxy]pyrimidin-2-yl]-3-(hydroxymethyl)pyrrolidin-3-yl]carbamate
CID 176654749

Frequently Asked Questions

What is the IUPAC name of (4S)-1-[5-[[2,6-bis(trifluoromethyl)phenyl]methoxy]pyrimidin-2-yl]-4-[[tert-butyl(dimethyl)silyl]oxymethyl]imidazolidin-2-one?
The IUPAC name of (4S)-1-[5-[[2,6-bis(trifluoromethyl)phenyl]methoxy]pyrimidin-2-yl]-4-[[tert-butyl(dimethyl)silyl]oxymethyl]imidazolidin-2-one (CID 175982322) is (4S)-1-[5-[[2,6-bis(trifluoromethyl)phenyl]methoxy]pyrimidin-2-yl]-4-[[tert-butyl(dimethyl)silyl]oxymethyl]imidazolidin-2-one.
What is the SMILES notation for (4S)-1-[5-[[2,6-bis(trifluoromethyl)phenyl]methoxy]pyrimidin-2-yl]-4-[[tert-butyl(dimethyl)silyl]oxymethyl]imidazolidin-2-one?
The canonical SMILES for (4S)-1-[5-[[2,6-bis(trifluoromethyl)phenyl]methoxy]pyrimidin-2-yl]-4-[[tert-butyl(dimethyl)silyl]oxymethyl]imidazolidin-2-one is CC(C)(C)[Si](C)(C)OC[C@@H]1CN(c2ncc(OCc3c(C(F)(F)F)cccc3C(F)(F)F)cn2)C(=O)N1.
What is the InChIKey of (4S)-1-[5-[[2,6-bis(trifluoromethyl)phenyl]methoxy]pyrimidin-2-yl]-4-[[tert-butyl(dimethyl)silyl]oxymethyl]imidazolidin-2-one?
The InChIKey is LWIIYURHPYXBEO-AWEZNQCLSA-N. The full InChI is InChI=1S/C23H28F6N4O3Si/c1-21(2,3)37(4,5)36-12-14-11-33(20(34)32-14)19-30-9-15(10-31-19)35-13-16-17(22(24,25)26)7-6-8-18(16)23(27,28)29/h6-10,14H,11-13H2,1-5H3,(H,32,34)/t14-/m0/s1.
What are the key properties of (4S)-1-[5-[[2,6-bis(trifluoromethyl)phenyl]methoxy]pyrimidin-2-yl]-4-[[tert-butyl(dimethyl)silyl]oxymethyl]imidazolidin-2-one?
(4S)-1-[5-[[2,6-bis(trifluoromethyl)phenyl]methoxy]pyrimidin-2-yl]-4-[[tert-butyl(dimethyl)silyl]oxymethyl]imidazolidin-2-one has a molecular weight of 550.58 g/mol, XLogP of 6.01, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-[5-[[2,6-bis(trifluoromethyl)phenyl]methoxy]pyrimidin-2-yl]-4-[[tert-butyl(dimethyl)silyl]oxymethyl]imidazolidin-2-one is sourced from PubChem (CID 175982322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).