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

C22H28ClF3N4O3Si — CID 175982314

IUPAC(4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[5-[[2-chloro-6-(trifluoromethyl)phenyl]methoxy]pyrimidin-2-yl]imidazolidin-2-one
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1CN(c2ncc(OCc3c(Cl)cccc3C(F)(F)F)cn2)C(=O)N1
InChIInChI=1S/C22H28ClF3N4O3Si/c1-21(2,3)34(4,5)33-12-14-11-30(20(31)29-14)19-27-9-15(10-28-19)32-13-16-17(22(24,25)26)7-6-8-18(16)23/h6-10,14H,11-13H2,1-5H3,(H,29,31)/t14-/m1/s1
InChIKeyHXOHADFIAGKTFL-CQSZACIVSA-N
MW517.02 g/mol
LogP5.65
Rot. Bonds7

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

(4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[5-[[2-chloro-6-(trifluoromethyl)phenyl]methoxy]pyrimidin-2-yl]imidazolidin-2-one (PubChem CID 175982314) has the molecular formula C22H28ClF3N4O3Si and a molecular weight of 517.02 g/mol. Its IUPAC name is (4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[5-[[2-chloro-6-(trifluoromethyl)phenyl]methoxy]pyrimidin-2-yl]imidazolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[5-[[2-chloro-6-(trifluoromethyl)phenyl]methoxy]pyrimidin-2-yl]imidazolidin-2-one
PubChem CID175982314
Molecular FormulaC22H28ClF3N4O3Si
Molecular Weight517.02 g/mol
Exact Mass516.16
IUPAC Name(4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[5-[[2-chloro-6-(trifluoromethyl)phenyl]methoxy]pyrimidin-2-yl]imidazolidin-2-one
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1CN(c2ncc(OCc3c(Cl)cccc3C(F)(F)F)cn2)C(=O)N1
InChIInChI=1S/C22H28ClF3N4O3Si/c1-21(2,3)34(4,5)33-12-14-11-30(20(31)29-14)19-27-9-15(10-28-19)32-13-16-17(22(24,25)26)7-6-8-18(16)23/h6-10,14H,11-13H2,1-5H3,(H,29,31)/t14-/m1/s1
InChIKeyHXOHADFIAGKTFL-CQSZACIVSA-N
XLogP5.65
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.02
LogP ≤ 55.65
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

(4S)-1-[5-[[2,6-bis(trifluoromethyl)phenyl]methoxy]pyrimidin-2-yl]-4-[[tert-butyl(dimethyl)silyl]oxymethyl]imidazolidin-2-one
CID 175982322
4-[5-[[2-chloro-6-(trifluoromethyl)phenyl]methoxy]pyrimidin-2-yl]piperazine-1-carboxamide
CID 170608664
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
3-[5-[[2-chloro-6-(trifluoromethyl)phenyl]methoxy]-2-pyridinyl]-1,3-oxazolidin-2-one
CID 170609039
tert-butyl N-[1-[5-[[2-chloro-6-(trifluoromethyl)phenyl]methoxy]pyrimidin-2-yl]-3-(hydroxymethyl)pyrrolidin-3-yl]carbamate
CID 176654749
1-[5-[[2-bromo-6-(1,1-difluoroethyl)phenyl]methoxy]-2-pyridinyl]-4-(hydroxymethyl)imidazolidin-2-one
CID 176828936
5-[[2-chloro-6-(trifluoromethyl)phenyl]methoxy]-2-(4-pyridin-2-yltriazol-2-yl)pyrimidine
CID 170608563
1-[4-[[2-bromo-6-(1,1-difluoroethyl)phenyl]methoxy]phenyl]-4-(hydroxymethyl)imidazolidin-2-one
CID 176828852
(2S)-4-[5-[(2,6-dichlorophenyl)methoxy]pyrimidin-2-yl]-2-(trifluoromethyl)morpholine
CID 174289380
1-[5-[(2-tert-butyl-6-chlorophenyl)methoxy]pyrimidin-2-yl]pyrazole-3-carboxamide
CID 176828923
[1-[5-[(2-tert-butyl-6-chlorophenyl)methoxy]pyrimidin-2-yl]pyrazol-3-yl]methanol
CID 176829001

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[5-[[2-chloro-6-(trifluoromethyl)phenyl]methoxy]pyrimidin-2-yl]imidazolidin-2-one?
The IUPAC name of (4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[5-[[2-chloro-6-(trifluoromethyl)phenyl]methoxy]pyrimidin-2-yl]imidazolidin-2-one (CID 175982314) is (4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[5-[[2-chloro-6-(trifluoromethyl)phenyl]methoxy]pyrimidin-2-yl]imidazolidin-2-one.
What is the SMILES notation for (4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[5-[[2-chloro-6-(trifluoromethyl)phenyl]methoxy]pyrimidin-2-yl]imidazolidin-2-one?
The canonical SMILES for (4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[5-[[2-chloro-6-(trifluoromethyl)phenyl]methoxy]pyrimidin-2-yl]imidazolidin-2-one is CC(C)(C)[Si](C)(C)OC[C@H]1CN(c2ncc(OCc3c(Cl)cccc3C(F)(F)F)cn2)C(=O)N1.
What is the InChIKey of (4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[5-[[2-chloro-6-(trifluoromethyl)phenyl]methoxy]pyrimidin-2-yl]imidazolidin-2-one?
The InChIKey is HXOHADFIAGKTFL-CQSZACIVSA-N. The full InChI is InChI=1S/C22H28ClF3N4O3Si/c1-21(2,3)34(4,5)33-12-14-11-30(20(31)29-14)19-27-9-15(10-28-19)32-13-16-17(22(24,25)26)7-6-8-18(16)23/h6-10,14H,11-13H2,1-5H3,(H,29,31)/t14-/m1/s1.
What are the key properties of (4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[5-[[2-chloro-6-(trifluoromethyl)phenyl]methoxy]pyrimidin-2-yl]imidazolidin-2-one?
(4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[5-[[2-chloro-6-(trifluoromethyl)phenyl]methoxy]pyrimidin-2-yl]imidazolidin-2-one has a molecular weight of 517.02 g/mol, XLogP of 5.65, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[5-[[2-chloro-6-(trifluoromethyl)phenyl]methoxy]pyrimidin-2-yl]imidazolidin-2-one is sourced from PubChem (CID 175982314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).