(2R)-2-[2-(benzimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide;2-[2-(2-methylbenzimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide;(2R)-2-[2-(2-methylbenzimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide;(2R)-2-[6-[(3R)-3-methylmorpholin-4-yl]-2-(2-methyl-4-pyridinyl)pyrimidin-4-yl]thiolane 1,1-dioxide;(2S)-2-[6-[(3R)-3-methylmorpholin-4-yl]-2-(2-methyl-4-pyridinyl)pyrimidin-4-yl]thiolane 1,1-dioxide

C100H121N23O15S5 — CID 160930979

IUPAC(2R)-2-[2-(benzimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide;2-[2-(2-methylbenzimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide;(2R)-2-[2-(2-methylbenzimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide;(2R)-2-[6-[(3R)-3-methylmorpholin-4-yl]-2-(2-methyl-4-pyridinyl)pyrimidin-4-yl]thiolane 1,1-dioxide;(2S)-2-[6-[(3R)-3-methylmorpholin-4-yl]-2-(2-methyl-4-pyridinyl)pyrimidin-4-yl]thiolane 1,1-dioxide
SMILESC[C@@H]1COCCN1c1cc([C@H]2CCCS2(=O)=O)nc(-n2cnc3ccccc32)n1.Cc1cc(-c2nc([C@@H]3CCCS3(=O)=O)cc(N3CCOC[C@H]3C)n2)ccn1.Cc1cc(-c2nc([C@H]3CCCS3(=O)=O)cc(N3CCOC[C@H]3C)n2)ccn1.Cc1nc2ccccc2n1-c1nc(C2CCCS2(=O)=O)cc(N2CCOC[C@H]2C)n1.Cc1nc2ccccc2n1-c1nc([C@H]2CCCS2(=O)=O)cc(N2CCOC[C@H]2C)n1
InChIInChI=1S/2C21H25N5O3S.C20H23N5O3S.2C19H24N4O3S/c2*1-14-13-29-10-9-25(14)20-12-17(19-8-5-11-30(19,27)28)23-21(24-20)26-15(2)22-16-6-3-4-7-18(16)26;1-14-12-28-9-8-24(14)19-11-16(18-7-4-10-29(18,26)27)22-20(23-19)25-13-21-15-5-2-3-6-17(15)25;2*1-13-10-15(5-6-20-13)19-21-16(17-4-3-9-27(17,24)25)11-18(22-19)23-7-8-26-12-14(23)2/h2*3-4,6-7,12,14,19H,5,8-11,13H2,1-2H3;2-3,5-6,11,13-14,18H,4,7-10,12H2,1H3;2*5-6,10-11,14,17H,3-4,7-9,12H2,1-2H3/t14-,19?;14-,19-;14-,18-;14-,17+;14-,17-/m11111/s1
InChIKeySTGMJLHSLPREPX-QWZMGCGISA-N
MW2045.55 g/mol
LogP12.13
Rot. Bonds15

About (2R)-2-[2-(benzimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide;2-[2-(2-methylbenzimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide;(2R)-2-[2-(2-methylbenzimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide;(2R)-2-[6-[(3R)-3-methylmorpholin-4-yl]-2-(2-methyl-4-pyridinyl)pyrimidin-4-yl]thiolane 1,1-dioxide;(2S)-2-[6-[(3R)-3-methylmorpholin-4-yl]-2-(2-methyl-4-pyridinyl)pyrimidin-4-yl]thiolane 1,1-dioxide

(2R)-2-[2-(benzimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide;2-[2-(2-methylbenzimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide;(2R)-2-[2-(2-methylbenzimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide;(2R)-2-[6-[(3R)-3-methylmorpholin-4-yl]-2-(2-methyl-4-pyridinyl)pyrimidin-4-yl]thiolane 1,1-dioxide;(2S)-2-[6-[(3R)-3-methylmorpholin-4-yl]-2-(2-methyl-4-pyridinyl)pyrimidin-4-yl]thiolane 1,1-dioxide (PubChem CID 160930979) has the molecular formula C100H121N23O15S5 and a molecular weight of 2045.55 g/mol. Its IUPAC name is (2R)-2-[2-(benzimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide;2-[2-(2-methylbenzimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide;(2R)-2-[2-(2-methylbenzimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide;(2R)-2-[6-[(3R)-3-methylmorpholin-4-yl]-2-(2-methyl-4-pyridinyl)pyrimidin-4-yl]thiolane 1,1-dioxide;(2S)-2-[6-[(3R)-3-methylmorpholin-4-yl]-2-(2-methyl-4-pyridinyl)pyrimidin-4-yl]thiolane 1,1-dioxide.

Molecular Properties

Compound Name(2R)-2-[2-(benzimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide;2-[2-(2-methylbenzimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide;(2R)-2-[2-(2-methylbenzimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide;(2R)-2-[6-[(3R)-3-methylmorpholin-4-yl]-2-(2-methyl-4-pyridinyl)pyrimidin-4-yl]thiolane 1,1-dioxide;(2S)-2-[6-[(3R)-3-methylmorpholin-4-yl]-2-(2-methyl-4-pyridinyl)pyrimidin-4-yl]thiolane 1,1-dioxide
PubChem CID160930979
Molecular FormulaC100H121N23O15S5
Molecular Weight2045.55 g/mol
Exact Mass2043.80
IUPAC Name(2R)-2-[2-(benzimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide;2-[2-(2-methylbenzimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide;(2R)-2-[2-(2-methylbenzimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide;(2R)-2-[6-[(3R)-3-methylmorpholin-4-yl]-2-(2-methyl-4-pyridinyl)pyrimidin-4-yl]thiolane 1,1-dioxide;(2S)-2-[6-[(3R)-3-methylmorpholin-4-yl]-2-(2-methyl-4-pyridinyl)pyrimidin-4-yl]thiolane 1,1-dioxide
SMILESC[C@@H]1COCCN1c1cc([C@H]2CCCS2(=O)=O)nc(-n2cnc3ccccc32)n1.Cc1cc(-c2nc([C@@H]3CCCS3(=O)=O)cc(N3CCOC[C@H]3C)n2)ccn1.Cc1cc(-c2nc([C@H]3CCCS3(=O)=O)cc(N3CCOC[C@H]3C)n2)ccn1.Cc1nc2ccccc2n1-c1nc(C2CCCS2(=O)=O)cc(N2CCOC[C@H]2C)n1.Cc1nc2ccccc2n1-c1nc([C@H]2CCCS2(=O)=O)cc(N2CCOC[C@H]2C)n1
InChIInChI=1S/2C21H25N5O3S.C20H23N5O3S.2C19H24N4O3S/c2*1-14-13-29-10-9-25(14)20-12-17(19-8-5-11-30(19,27)28)23-21(24-20)26-15(2)22-16-6-3-4-7-18(16)26;1-14-12-28-9-8-24(14)19-11-16(18-7-4-10-29(18,26)27)22-20(23-19)25-13-21-15-5-2-3-6-17(15)25;2*1-13-10-15(5-6-20-13)19-21-16(17-4-3-9-27(17,24)25)11-18(22-19)23-7-8-26-12-14(23)2/h2*3-4,6-7,12,14,19H,5,8-11,13H2,1-2H3;2-3,5-6,11,13-14,18H,4,7-10,12H2,1H3;2*5-6,10-11,14,17H,3-4,7-9,12H2,1-2H3/t14-,19?;14-,19-;14-,18-;14-,17+;14-,17-/m11111/s1
InChIKeySTGMJLHSLPREPX-QWZMGCGISA-N
XLogP12.13
TPSA441.19 Ų
H-Bond Donors
H-Bond Acceptors38
Rotatable Bonds15
Heavy Atoms143
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002045.55
LogP ≤ 512.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1038

Analyze (2R)-2-[2-(benzimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide;2-[2-(2-methylbenzimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide;(2R)-2-[2-(2-methylbenzimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide;(2R)-2-[6-[(3R)-3-methylmorpholin-4-yl]-2-(2-methyl-4-pyridinyl)pyrimidin-4-yl]thiolane 1,1-dioxide;(2S)-2-[6-[(3R)-3-methylmorpholin-4-yl]-2-(2-methyl-4-pyridinyl)pyrimidin-4-yl]thiolane 1,1-dioxide with MolForge

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Related Compounds

US9725449, Example 214
CID 122686426
[2-(4,5-dimethylimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-[[1-[4-[[dimethyl(oxo)-lambda6-sulfanylidene]amino]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-2-(trifluoromethyl)benzimidazol-5-yl]methyl]-methyl-oxo-lambda6-sulfane
CID 137417669
[2-[1-[4-[[dimethyl(oxo)-lambda6-sulfanylidene]amino]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-7-fluoro-2-methylbenzimidazol-5-yl]cyclopropyl]-methyl-[2-[2-methyl-5-[2-[S-methyl-N-[2-(2-methylbenzimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]sulfonimidoyl]cyclopropyl]benzimidazol-1-yl]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-oxo-lambda6-sulfane
CID 137417983
[5-[[N-[6-[4-[[N-[6-(2-aminobenzimidazol-1-yl)-4-[(3R)-3-methylmorpholin-4-yl]-2-pyridinyl]-S-methylsulfonimidoyl]methyl]-2-(fluoromethyl)benzimidazol-1-yl]-4-[(3R)-3-methylmorpholin-4-yl]-2-pyridinyl]-S-methylsulfonimidoyl]methyl]-1-[6-[[dimethyl(oxo)-lambda6-sulfanylidene]amino]-4-[(3R)-3-methylmorpholin-4-yl]-2-pyridinyl]benzimidazol-2-yl]methanol
CID 139494292
4-Ethylsulfinyl-3-[3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-c]pyridin-2-yl]isoquinoline;4-ethylsulfonyl-3-[3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridin-2-yl]isoquinoline;4-ethylsulfonyl-3-[3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-c]pyridin-2-yl]isoquinoline;4-ethylsulfonyl-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]isoquinoline;8-ethylsulfonyl-7-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-1,6-naphthyridine
CID 157151031
7-(1,1-Dioxothietan-3-yl)-9-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propan-2-yl-3-pyridinyl)purin-8-one;7-(2-hydroxyethyl)-9-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propan-2-yl-3-pyridinyl)purin-8-one;methane;9-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-7-(oxan-4-yl)-2-(2-propan-2-yl-3-pyridinyl)purin-8-one
CID 158504098
5-[6-[[4-(dimethylamino)piperidin-1-yl]methyl]-7-methyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[6-[(4-ethylpiperazin-1-yl)methyl]-7-methyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[7-methyl-4-[(3S)-3-methylmorpholin-4-yl]-6-[(4-methylsulfonylpiperazin-1-yl)methyl]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[7-methyl-6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[7-methyl-4-morpholin-4-yl-6-(thiomorpholin-4-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine
CID 158745435
1-[4-[2-[6-(1,1-difluoroethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethanone;(3S)-4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-3-methylmorpholine;[3-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]phenyl]-imino-methyl-oxo-lambda6-sulfane;4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-1,4-thiazinane 1-oxide;6-(difluoromethyl)-3-[4-(3-pyridin-2-ylpyrrolidin-1-yl)pyrimidin-2-yl]imidazo[1,2-a]pyrazine
CID 158754320
7-(1,1-Dioxothietan-3-yl)-9-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propan-2-yl-3-pyridinyl)purin-8-one;7-(2-hydroxyethyl)-9-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propan-2-yl-3-pyridinyl)purin-8-one;7-(2-methoxyethyl)-9-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propan-2-yl-3-pyridinyl)purin-8-one;9-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-7-(oxan-4-yl)-2-(2-propan-2-yl-3-pyridinyl)purin-8-one
CID 159972531
Iridium;iridium(3+);methanol;methoxymethane;1-(4-methylpyrimidin-5-yl)-2-phenylbenzimidazol-1-ium-3-ide;bis(2-phenylpyridine);2-phenyl-1-[4-(trideuteriomethyl)pyrimidin-5-yl]benzimidazole;trifluoromethanesulfonate
CID 160981659
Bis(cyclopropyl-[[5-ethylsulfonyl-6-[7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-2-yl]-3-pyridinyl]imino]-methyl-oxo-lambda6-sulfane);2-[3-ethylsulfonyl-5-[(4-methylidene-1,4-oxathian-4-ylidene)amino]-2-pyridinyl]-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine;2-[3-ethylsulfonyl-5-[(1-methylidenethietan-1-ylidene)amino]-2-pyridinyl]-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine;[5-ethylsulfonyl-6-[7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-2-yl]-3-pyridinyl]imino-dimethyl-methylidene-lambda6-sulfane;[5-ethylsulfonyl-6-[7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-2-yl]-3-pyridinyl]imino-dimethyl-oxo-lambda6-sulfane;[5-ethylsulfonyl-6-[7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-2-yl]-3-pyridinyl]imino-methyl-(4-methylphenyl)-oxo-lambda6-sulfane
CID 161045620
6-[2-(methoxymethyl)benzimidazol-1-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;N-(4-methylsulfonylphenyl)-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-amine;[1-[6-[4-(trifluoromethyl)anilino]pyrazin-2-yl]benzimidazol-2-yl]methanol;6-[2-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-[2-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine
CID 161105801

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[2-(benzimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide;2-[2-(2-methylbenzimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide;(2R)-2-[2-(2-methylbenzimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide;(2R)-2-[6-[(3R)-3-methylmorpholin-4-yl]-2-(2-methyl-4-pyridinyl)pyrimidin-4-yl]thiolane 1,1-dioxide;(2S)-2-[6-[(3R)-3-methylmorpholin-4-yl]-2-(2-methyl-4-pyridinyl)pyrimidin-4-yl]thiolane 1,1-dioxide?
The IUPAC name of (2R)-2-[2-(benzimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide;2-[2-(2-methylbenzimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide;(2R)-2-[2-(2-methylbenzimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide;(2R)-2-[6-[(3R)-3-methylmorpholin-4-yl]-2-(2-methyl-4-pyridinyl)pyrimidin-4-yl]thiolane 1,1-dioxide;(2S)-2-[6-[(3R)-3-methylmorpholin-4-yl]-2-(2-methyl-4-pyridinyl)pyrimidin-4-yl]thiolane 1,1-dioxide (CID 160930979) is (2R)-2-[2-(benzimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide;2-[2-(2-methylbenzimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide;(2R)-2-[2-(2-methylbenzimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide;(2R)-2-[6-[(3R)-3-methylmorpholin-4-yl]-2-(2-methyl-4-pyridinyl)pyrimidin-4-yl]thiolane 1,1-dioxide;(2S)-2-[6-[(3R)-3-methylmorpholin-4-yl]-2-(2-methyl-4-pyridinyl)pyrimidin-4-yl]thiolane 1,1-dioxide.
What is the SMILES notation for (2R)-2-[2-(benzimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide;2-[2-(2-methylbenzimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide;(2R)-2-[2-(2-methylbenzimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide;(2R)-2-[6-[(3R)-3-methylmorpholin-4-yl]-2-(2-methyl-4-pyridinyl)pyrimidin-4-yl]thiolane 1,1-dioxide;(2S)-2-[6-[(3R)-3-methylmorpholin-4-yl]-2-(2-methyl-4-pyridinyl)pyrimidin-4-yl]thiolane 1,1-dioxide?
The canonical SMILES for (2R)-2-[2-(benzimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide;2-[2-(2-methylbenzimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide;(2R)-2-[2-(2-methylbenzimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide;(2R)-2-[6-[(3R)-3-methylmorpholin-4-yl]-2-(2-methyl-4-pyridinyl)pyrimidin-4-yl]thiolane 1,1-dioxide;(2S)-2-[6-[(3R)-3-methylmorpholin-4-yl]-2-(2-methyl-4-pyridinyl)pyrimidin-4-yl]thiolane 1,1-dioxide is C[C@@H]1COCCN1c1cc([C@H]2CCCS2(=O)=O)nc(-n2cnc3ccccc32)n1.Cc1cc(-c2nc([C@@H]3CCCS3(=O)=O)cc(N3CCOC[C@H]3C)n2)ccn1.Cc1cc(-c2nc([C@H]3CCCS3(=O)=O)cc(N3CCOC[C@H]3C)n2)ccn1.Cc1nc2ccccc2n1-c1nc(C2CCCS2(=O)=O)cc(N2CCOC[C@H]2C)n1.Cc1nc2ccccc2n1-c1nc([C@H]2CCCS2(=O)=O)cc(N2CCOC[C@H]2C)n1.
What is the InChIKey of (2R)-2-[2-(benzimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide;2-[2-(2-methylbenzimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide;(2R)-2-[2-(2-methylbenzimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide;(2R)-2-[6-[(3R)-3-methylmorpholin-4-yl]-2-(2-methyl-4-pyridinyl)pyrimidin-4-yl]thiolane 1,1-dioxide;(2S)-2-[6-[(3R)-3-methylmorpholin-4-yl]-2-(2-methyl-4-pyridinyl)pyrimidin-4-yl]thiolane 1,1-dioxide?
The InChIKey is STGMJLHSLPREPX-QWZMGCGISA-N. The full InChI is InChI=1S/2C21H25N5O3S.C20H23N5O3S.2C19H24N4O3S/c2*1-14-13-29-10-9-25(14)20-12-17(19-8-5-11-30(19,27)28)23-21(24-20)26-15(2)22-16-6-3-4-7-18(16)26;1-14-12-28-9-8-24(14)19-11-16(18-7-4-10-29(18,26)27)22-20(23-19)25-13-21-15-5-2-3-6-17(15)25;2*1-13-10-15(5-6-20-13)19-21-16(17-4-3-9-27(17,24)25)11-18(22-19)23-7-8-26-12-14(23)2/h2*3-4,6-7,12,14,19H,5,8-11,13H2,1-2H3;2-3,5-6,11,13-14,18H,4,7-10,12H2,1H3;2*5-6,10-11,14,17H,3-4,7-9,12H2,1-2H3/t14-,19?;14-,19-;14-,18-;14-,17+;14-,17-/m11111/s1.
What are the key properties of (2R)-2-[2-(benzimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide;2-[2-(2-methylbenzimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide;(2R)-2-[2-(2-methylbenzimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide;(2R)-2-[6-[(3R)-3-methylmorpholin-4-yl]-2-(2-methyl-4-pyridinyl)pyrimidin-4-yl]thiolane 1,1-dioxide;(2S)-2-[6-[(3R)-3-methylmorpholin-4-yl]-2-(2-methyl-4-pyridinyl)pyrimidin-4-yl]thiolane 1,1-dioxide?
(2R)-2-[2-(benzimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide;2-[2-(2-methylbenzimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide;(2R)-2-[2-(2-methylbenzimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide;(2R)-2-[6-[(3R)-3-methylmorpholin-4-yl]-2-(2-methyl-4-pyridinyl)pyrimidin-4-yl]thiolane 1,1-dioxide;(2S)-2-[6-[(3R)-3-methylmorpholin-4-yl]-2-(2-methyl-4-pyridinyl)pyrimidin-4-yl]thiolane 1,1-dioxide has a molecular weight of 2045.55 g/mol, XLogP of 12.13, 15 rotatable bonds, 0 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[2-(benzimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide;2-[2-(2-methylbenzimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide;(2R)-2-[2-(2-methylbenzimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide;(2R)-2-[6-[(3R)-3-methylmorpholin-4-yl]-2-(2-methyl-4-pyridinyl)pyrimidin-4-yl]thiolane 1,1-dioxide;(2S)-2-[6-[(3R)-3-methylmorpholin-4-yl]-2-(2-methyl-4-pyridinyl)pyrimidin-4-yl]thiolane 1,1-dioxide is sourced from PubChem (CID 160930979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).