magnesium;[(1S,2S,4S)-4-[[5-[4-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-5-chlorothiophene-2-carbonyl]pyrimidin-4-yl]amino]-2-methylcyclopentyl]methyl sulfamate;[4-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-5-chlorothiophen-2-yl]-[4-[[(1S,3S,4S)-3-ethyl-4-methylcyclopentyl]amino]pyrimidin-5-yl]methanone;[4-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-5-chlorothiophen-2-yl]-[4-[[(1S,3S,4S)-3-(hydroxymethyl)-4-methylcyclopentyl]amino]pyrimidin-5-yl]methanone;carbanide;2-chloro-5-[4-[[(1S,3S,4S)-3-ethyl-4-methylcyclopentyl]amino]pyrimidine-5-carbonyl]thiophene-3-carbaldehyde;[5-chloro-4-(1-hydroxyethyl)thiophen-2-yl]-[4-[[(1S,3S,4S)-3-ethyl-4-methylcyclopentyl]amino]pyrimidin-5-yl]methanone;deuterio(fluoro)methane;ethanol;methane;oxolane;sulfamoyl chloride;bromide

C123H196BrCl6F2MgN17O18S7Si3 — CID 159749461

IUPACmagnesium;[(1S,2S,4S)-4-[[5-[4-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-5-chlorothiophene-2-carbonyl]pyrimidin-4-yl]amino]-2-methylcyclopentyl]methyl sulfamate;[4-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-5-chlorothiophen-2-yl]-[4-[[(1S,3S,4S)-3-ethyl-4-methylcyclopentyl]amino]pyrimidin-5-yl]methanone;[4-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-5-chlorothiophen-2-yl]-[4-[[(1S,3S,4S)-3-(hydroxymethyl)-4-methylcyclopentyl]amino]pyrimidin-5-yl]methanone;carbanide;2-chloro-5-[4-[[(1S,3S,4S)-3-ethyl-4-methylcyclopentyl]amino]pyrimidine-5-carbonyl]thiophene-3-carbaldehyde;[5-chloro-4-(1-hydroxyethyl)thiophen-2-yl]-[4-[[(1S,3S,4S)-3-ethyl-4-methylcyclopentyl]amino]pyrimidin-5-yl]methanone;deuterio(fluoro)methane;ethanol;methane;oxolane;sulfamoyl chloride;bromide
SMILESC.C.C.C.C1CCOC1.CC(O[Si](C)(C)C(C)(C)C)c1cc(C(=O)c2cncnc2N[C@@H]2C[C@H](CO)[C@@H](C)C2)sc1Cl.CC(O[Si](C)(C)C(C)(C)C)c1cc(C(=O)c2cncnc2N[C@@H]2C[C@H](COS(N)(=O)=O)[C@@H](C)C2)sc1Cl.CCO.CC[C@H]1C[C@@H](Nc2ncncc2C(=O)c2cc(C(C)O)c(Cl)s2)C[C@@H]1C.CC[C@H]1C[C@@H](Nc2ncncc2C(=O)c2cc(C(C)O[Si](C)(C)C(C)(C)C)c(Cl)s2)C[C@@H]1C.CC[C@H]1C[C@@H](Nc2ncncc2C(=O)c2cc(C=O)c(Cl)s2)C[C@@H]1C.NS(=O)(=O)Cl.[2H]CF.[2H]CF.[Br-].[CH3-].[Mg+2]
InChIInChI=1S/C25H38ClN3O2SSi.C24H37ClN4O5S2Si.C24H36ClN3O3SSi.C19H24ClN3O2S.C18H20ClN3O2S.C4H8O.C2H6O.2CH3F.4CH4.CH3.BrH.ClH2NO2S.Mg/c1-9-17-11-18(10-15(17)2)29-24-20(13-27-14-28-24)22(30)21-12-19(23(26)32-21)16(3)31-33(7,8)25(4,5)6;1-14-8-17(9-16(14)12-33-36(26,31)32)29-23-19(11-27-13-28-23)21(30)20-10-18(22(25)35-20)15(2)34-37(6,7)24(3,4)5;1-14-8-17(9-16(14)12-29)28-23-19(11-26-13-27-23)21(30)20-10-18(22(25)32-20)15(2)31-33(6,7)24(3,4)5;1-4-12-6-13(5-10(12)2)23-19-15(8-21-9-22-19)17(25)16-7-14(11(3)24)18(20)26-16;1-3-11-5-13(4-10(11)2)22-18-14(7-20-9-21-18)16(24)15-6-12(8-23)17(19)25-15;1-2-4-5-3-1;1-2-3;2*1-2;;;;;;;1-5(2,3)4;/h12-18H,9-11H2,1-8H3,(H,27,28,29);10-11,13-17H,8-9,12H2,1-7H3,(H2,26,31,32)(H,27,28,29);10-11,13-17,29H,8-9,12H2,1-7H3,(H,26,27,28);7-13,24H,4-6H2,1-3H3,(H,21,22,23);6-11,13H,3-5H2,1-2H3,(H,20,21,22);1-4H2;3H,2H2,1H3;2*1H3;4*1H4;1H3;1H;(H2,2,3,4);/q;;;;;;;;;;;;;-1;;;+2/p-1/t15-,16?,17-,18-;2*14-,15?,16+,17-;10-,11?,12-,13-;10-,11-,13-;;;;;;;;;;;;/m00000............/s1/i;;;;;;;2*1D;;;;;;;;
InChIKeyBWPWIAXCVCNVGF-HOSHVKQCSA-M
MW2866.68 g/mol
LogP29.82
Rot. Bonds38

About magnesium;[(1S,2S,4S)-4-[[5-[4-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-5-chlorothiophene-2-carbonyl]pyrimidin-4-yl]amino]-2-methylcyclopentyl]methyl sulfamate;[4-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-5-chlorothiophen-2-yl]-[4-[[(1S,3S,4S)-3-ethyl-4-methylcyclopentyl]amino]pyrimidin-5-yl]methanone;[4-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-5-chlorothiophen-2-yl]-[4-[[(1S,3S,4S)-3-(hydroxymethyl)-4-methylcyclopentyl]amino]pyrimidin-5-yl]methanone;carbanide;2-chloro-5-[4-[[(1S,3S,4S)-3-ethyl-4-methylcyclopentyl]amino]pyrimidine-5-carbonyl]thiophene-3-carbaldehyde;[5-chloro-4-(1-hydroxyethyl)thiophen-2-yl]-[4-[[(1S,3S,4S)-3-ethyl-4-methylcyclopentyl]amino]pyrimidin-5-yl]methanone;deuterio(fluoro)methane;ethanol;methane;oxolane;sulfamoyl chloride;bromide

magnesium;[(1S,2S,4S)-4-[[5-[4-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-5-chlorothiophene-2-carbonyl]pyrimidin-4-yl]amino]-2-methylcyclopentyl]methyl sulfamate;[4-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-5-chlorothiophen-2-yl]-[4-[[(1S,3S,4S)-3-ethyl-4-methylcyclopentyl]amino]pyrimidin-5-yl]methanone;[4-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-5-chlorothiophen-2-yl]-[4-[[(1S,3S,4S)-3-(hydroxymethyl)-4-methylcyclopentyl]amino]pyrimidin-5-yl]methanone;carbanide;2-chloro-5-[4-[[(1S,3S,4S)-3-ethyl-4-methylcyclopentyl]amino]pyrimidine-5-carbonyl]thiophene-3-carbaldehyde;[5-chloro-4-(1-hydroxyethyl)thiophen-2-yl]-[4-[[(1S,3S,4S)-3-ethyl-4-methylcyclopentyl]amino]pyrimidin-5-yl]methanone;deuterio(fluoro)methane;ethanol;methane;oxolane;sulfamoyl chloride;bromide (PubChem CID 159749461) has the molecular formula C123H196BrCl6F2MgN17O18S7Si3 and a molecular weight of 2866.68 g/mol. Its IUPAC name is magnesium;[(1S,2S,4S)-4-[[5-[4-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-5-chlorothiophene-2-carbonyl]pyrimidin-4-yl]amino]-2-methylcyclopentyl]methyl sulfamate;[4-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-5-chlorothiophen-2-yl]-[4-[[(1S,3S,4S)-3-ethyl-4-methylcyclopentyl]amino]pyrimidin-5-yl]methanone;[4-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-5-chlorothiophen-2-yl]-[4-[[(1S,3S,4S)-3-(hydroxymethyl)-4-methylcyclopentyl]amino]pyrimidin-5-yl]methanone;carbanide;2-chloro-5-[4-[[(1S,3S,4S)-3-ethyl-4-methylcyclopentyl]amino]pyrimidine-5-carbonyl]thiophene-3-carbaldehyde;[5-chloro-4-(1-hydroxyethyl)thiophen-2-yl]-[4-[[(1S,3S,4S)-3-ethyl-4-methylcyclopentyl]amino]pyrimidin-5-yl]methanone;deuterio(fluoro)methane;ethanol;methane;oxolane;sulfamoyl chloride;bromide.

Molecular Properties

Compound Namemagnesium;[(1S,2S,4S)-4-[[5-[4-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-5-chlorothiophene-2-carbonyl]pyrimidin-4-yl]amino]-2-methylcyclopentyl]methyl sulfamate;[4-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-5-chlorothiophen-2-yl]-[4-[[(1S,3S,4S)-3-ethyl-4-methylcyclopentyl]amino]pyrimidin-5-yl]methanone;[4-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-5-chlorothiophen-2-yl]-[4-[[(1S,3S,4S)-3-(hydroxymethyl)-4-methylcyclopentyl]amino]pyrimidin-5-yl]methanone;carbanide;2-chloro-5-[4-[[(1S,3S,4S)-3-ethyl-4-methylcyclopentyl]amino]pyrimidine-5-carbonyl]thiophene-3-carbaldehyde;[5-chloro-4-(1-hydroxyethyl)thiophen-2-yl]-[4-[[(1S,3S,4S)-3-ethyl-4-methylcyclopentyl]amino]pyrimidin-5-yl]methanone;deuterio(fluoro)methane;ethanol;methane;oxolane;sulfamoyl chloride;bromide
PubChem CID159749461
Molecular FormulaC123H196BrCl6F2MgN17O18S7Si3
Molecular Weight2866.68 g/mol
Exact Mass2859.96
IUPAC Namemagnesium;[(1S,2S,4S)-4-[[5-[4-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-5-chlorothiophene-2-carbonyl]pyrimidin-4-yl]amino]-2-methylcyclopentyl]methyl sulfamate;[4-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-5-chlorothiophen-2-yl]-[4-[[(1S,3S,4S)-3-ethyl-4-methylcyclopentyl]amino]pyrimidin-5-yl]methanone;[4-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-5-chlorothiophen-2-yl]-[4-[[(1S,3S,4S)-3-(hydroxymethyl)-4-methylcyclopentyl]amino]pyrimidin-5-yl]methanone;carbanide;2-chloro-5-[4-[[(1S,3S,4S)-3-ethyl-4-methylcyclopentyl]amino]pyrimidine-5-carbonyl]thiophene-3-carbaldehyde;[5-chloro-4-(1-hydroxyethyl)thiophen-2-yl]-[4-[[(1S,3S,4S)-3-ethyl-4-methylcyclopentyl]amino]pyrimidin-5-yl]methanone;deuterio(fluoro)methane;ethanol;methane;oxolane;sulfamoyl chloride;bromide
SMILESC.C.C.C.C1CCOC1.CC(O[Si](C)(C)C(C)(C)C)c1cc(C(=O)c2cncnc2N[C@@H]2C[C@H](CO)[C@@H](C)C2)sc1Cl.CC(O[Si](C)(C)C(C)(C)C)c1cc(C(=O)c2cncnc2N[C@@H]2C[C@H](COS(N)(=O)=O)[C@@H](C)C2)sc1Cl.CCO.CC[C@H]1C[C@@H](Nc2ncncc2C(=O)c2cc(C(C)O)c(Cl)s2)C[C@@H]1C.CC[C@H]1C[C@@H](Nc2ncncc2C(=O)c2cc(C(C)O[Si](C)(C)C(C)(C)C)c(Cl)s2)C[C@@H]1C.CC[C@H]1C[C@@H](Nc2ncncc2C(=O)c2cc(C=O)c(Cl)s2)C[C@@H]1C.NS(=O)(=O)Cl.[2H]CF.[2H]CF.[Br-].[CH3-].[Mg+2]
InChIInChI=1S/C25H38ClN3O2SSi.C24H37ClN4O5S2Si.C24H36ClN3O3SSi.C19H24ClN3O2S.C18H20ClN3O2S.C4H8O.C2H6O.2CH3F.4CH4.CH3.BrH.ClH2NO2S.Mg/c1-9-17-11-18(10-15(17)2)29-24-20(13-27-14-28-24)22(30)21-12-19(23(26)32-21)16(3)31-33(7,8)25(4,5)6;1-14-8-17(9-16(14)12-33-36(26,31)32)29-23-19(11-27-13-28-23)21(30)20-10-18(22(25)35-20)15(2)34-37(6,7)24(3,4)5;1-14-8-17(9-16(14)12-29)28-23-19(11-26-13-27-23)21(30)20-10-18(22(25)32-20)15(2)31-33(6,7)24(3,4)5;1-4-12-6-13(5-10(12)2)23-19-15(8-21-9-22-19)17(25)16-7-14(11(3)24)18(20)26-16;1-3-11-5-13(4-10(11)2)22-18-14(7-20-9-21-18)16(24)15-6-12(8-23)17(19)25-15;1-2-4-5-3-1;1-2-3;2*1-2;;;;;;;1-5(2,3)4;/h12-18H,9-11H2,1-8H3,(H,27,28,29);10-11,13-17H,8-9,12H2,1-7H3,(H2,26,31,32)(H,27,28,29);10-11,13-17,29H,8-9,12H2,1-7H3,(H,26,27,28);7-13,24H,4-6H2,1-3H3,(H,21,22,23);6-11,13H,3-5H2,1-2H3,(H,20,21,22);1-4H2;3H,2H2,1H3;2*1H3;4*1H4;1H3;1H;(H2,2,3,4);/q;;;;;;;;;;;;;-1;;;+2/p-1/t15-,16?,17-,18-;2*14-,15?,16+,17-;10-,11?,12-,13-;10-,11-,13-;;;;;;;;;;;;/m00000............/s1/i;;;;;;;2*1D;;;;;;;;
InChIKeyBWPWIAXCVCNVGF-HOSHVKQCSA-M
XLogP29.82
TPSA518.63 Ų
H-Bond Donors10
H-Bond Acceptors38
Rotatable Bonds38
Heavy Atoms178
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002866.68
LogP ≤ 529.82
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1038

Computed Properties (RDKit)

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

Analyze magnesium;[(1S,2S,4S)-4-[[5-[4-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-5-chlorothiophene-2-carbonyl]pyrimidin-4-yl]amino]-2-methylcyclopentyl]methyl sulfamate;[4-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-5-chlorothiophen-2-yl]-[4-[[(1S,3S,4S)-3-ethyl-4-methylcyclopentyl]amino]pyrimidin-5-yl]methanone;[4-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-5-chlorothiophen-2-yl]-[4-[[(1S,3S,4S)-3-(hydroxymethyl)-4-methylcyclopentyl]amino]pyrimidin-5-yl]methanone;carbanide;2-chloro-5-[4-[[(1S,3S,4S)-3-ethyl-4-methylcyclopentyl]amino]pyrimidine-5-carbonyl]thiophene-3-carbaldehyde;[5-chloro-4-(1-hydroxyethyl)thiophen-2-yl]-[4-[[(1S,3S,4S)-3-ethyl-4-methylcyclopentyl]amino]pyrimidin-5-yl]methanone;deuterio(fluoro)methane;ethanol;methane;oxolane;sulfamoyl chloride;bromide with MolForge

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Launch Full Analysis

Related Compounds

[(1R,2S,4R)-4-[[5-(4-acetyl-5-chlorothiophene-2-carbonyl)pyrimidin-4-yl]amino]-2-hydroxycyclopentyl]methyl sulfamate;1-[2-chloro-5-[4-[[(1S,3S,4S)-3-ethyl-4-methylcyclopentyl]amino]pyrimidine-5-carbonyl]thiophen-3-yl]ethanone;[5-chloro-4-(1-hydroxyethyl)thiophen-2-yl]-[4-[[(1S,3S,4S)-3-ethyl-4-methylcyclopentyl]amino]pyrimidin-5-yl]methanone;1-[2-chloro-5-[4-[[(1S,3S,4S)-3-(hydroxymethyl)-4-methylcyclopentyl]amino]pyrimidine-5-carbonyl]thiophen-3-yl]ethanone;ethanol
CID 159229244
[(1R,2S,4R)-4-[[5-[5-chloro-4-[(3-chlorophenyl)-hydroxymethyl]thiophene-2-carbonyl]pyrimidin-4-yl]amino]-2-hydroxycyclopentyl]methyl sulfamate;[5-chloro-4-[(3-chlorophenyl)-hydroxymethyl]thiophen-2-yl]-[4-[[(1S,3S,4S)-3-ethyl-4-methylcyclopentyl]amino]pyrimidin-5-yl]methanone;[2-chloro-5-[4-[[(1S,3S,4S)-3-ethyl-4-methylcyclopentyl]amino]pyrimidine-5-carbonyl]thiophen-3-yl]-(3-chlorophenyl)methanone;[2-chloro-5-[4-[[(1S,3S,4S)-3-(hydroxymethyl)-4-methylcyclopentyl]amino]pyrimidine-5-carbonyl]thiophen-3-yl]-(3-chlorophenyl)methanone;deuterioethane;dioxomanganese;ethanol;methane
CID 160765485
[(1S,2S,4S)-4-[[5-[5-chloro-4-[(3-chlorophenyl)-hydroxymethyl]thiophene-2-carbonyl]pyrimidin-4-yl]amino]-2-methylcyclopentyl]methyl sulfamate
CID 118654224
[4-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-5-chlorothiophen-2-yl]-[4-[[(1R,3R,4S)-3-(hydroxymethyl)-4-tri(propan-2-yl)silyloxycyclopentyl]amino]pyrimidin-5-yl]methanone
CID 154404460
[4-[1-[tert-butyl(dimethyl)silyl]oxy-3-cyclopropylprop-2-ynyl]-5-chlorothiophen-2-yl]-[4-[[(1S,3S,4S)-3-(hydroxymethyl)-4-methylcyclopentyl]amino]pyrimidin-5-yl]methanone
CID 157352856
[(1R,2S,4R)-4-[[5-[5-chloro-4-[(S)-hydroxy(oxan-4-yl)methyl]thiophene-2-carbonyl]pyrimidin-4-yl]amino]-2-hydroxycyclopentyl]methyl sulfamate
CID 118628832
magnesium;chlorobenzene;[(1R,2S,4R)-4-[[5-[5-chloro-4-[1-(3-chlorophenyl)-1-hydroxyethyl]thiophene-2-carbonyl]pyrimidin-4-yl]amino]-2-hydroxycyclopentyl]methyl sulfamate;[5-chloro-4-[1-(3-chlorophenyl)-1-hydroxyethyl]thiophen-2-yl]-[4-[[(1S,3S,4S)-3-ethyl-4-methylcyclopentyl]amino]pyrimidin-5-yl]methanone;[5-chloro-4-[1-(3-chlorophenyl)-1-hydroxyethyl]thiophen-2-yl]-[4-[[(1S,3S,4S)-3-(hydroxymethyl)-4-methylcyclopentyl]amino]pyrimidin-5-yl]methanone;1-[2-chloro-5-[4-[[(1S,3S,4S)-3-ethyl-4-methylcyclopentyl]amino]pyrimidine-5-carbonyl]thiophen-3-yl]ethanone;ethanol;methane;bromide
CID 161384337
[5-chloro-4-[(5-chloro-2-fluorophenyl)-hydroxymethyl]thiophen-2-yl]-[4-[[(1S,3S,4S)-3-(hydroxymethyl)-4-methylcyclopentyl]amino]pyrimidin-5-yl]methanone
CID 118654228
[(1R,2S,4R)-4-[[5-[5-chloro-4-[(R)-hydroxy-(2-methoxyphenyl)methyl]thiophene-2-carbonyl]pyrimidin-4-yl]amino]-2-hydroxycyclopentyl]methyl sulfamate
CID 118628858
[(1R,3S)-3-[[5-[5-chloro-4-(1-hydroxy-2-methylpropyl)thiophene-2-carbonyl]pyrimidin-4-yl]amino]cyclopentyl]methyl sulfamate
CID 144991502
[4-(chloromethyl)-5-methylthiophen-2-yl]-[4-[[(1S,3S,4S)-3-ethyl-4-methylcyclopentyl]amino]pyrimidin-5-yl]methanone;[4-(chloromethyl)-5-methylthiophen-2-yl]-[4-[[(1S,3S,4S)-3-(hydroxymethyl)-4-methylcyclopentyl]amino]pyrimidin-5-yl]methanone;methane
CID 159499694
1-[2-chloro-5-[4-[[(1S,3S,4S)-3-(hydroxymethyl)-4-methylcyclopentyl]amino]pyrimidine-5-carbonyl]thiophen-3-yl]ethanone
CID 118654238

Frequently Asked Questions

What is the IUPAC name of magnesium;[(1S,2S,4S)-4-[[5-[4-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-5-chlorothiophene-2-carbonyl]pyrimidin-4-yl]amino]-2-methylcyclopentyl]methyl sulfamate;[4-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-5-chlorothiophen-2-yl]-[4-[[(1S,3S,4S)-3-ethyl-4-methylcyclopentyl]amino]pyrimidin-5-yl]methanone;[4-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-5-chlorothiophen-2-yl]-[4-[[(1S,3S,4S)-3-(hydroxymethyl)-4-methylcyclopentyl]amino]pyrimidin-5-yl]methanone;carbanide;2-chloro-5-[4-[[(1S,3S,4S)-3-ethyl-4-methylcyclopentyl]amino]pyrimidine-5-carbonyl]thiophene-3-carbaldehyde;[5-chloro-4-(1-hydroxyethyl)thiophen-2-yl]-[4-[[(1S,3S,4S)-3-ethyl-4-methylcyclopentyl]amino]pyrimidin-5-yl]methanone;deuterio(fluoro)methane;ethanol;methane;oxolane;sulfamoyl chloride;bromide?
The IUPAC name of magnesium;[(1S,2S,4S)-4-[[5-[4-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-5-chlorothiophene-2-carbonyl]pyrimidin-4-yl]amino]-2-methylcyclopentyl]methyl sulfamate;[4-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-5-chlorothiophen-2-yl]-[4-[[(1S,3S,4S)-3-ethyl-4-methylcyclopentyl]amino]pyrimidin-5-yl]methanone;[4-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-5-chlorothiophen-2-yl]-[4-[[(1S,3S,4S)-3-(hydroxymethyl)-4-methylcyclopentyl]amino]pyrimidin-5-yl]methanone;carbanide;2-chloro-5-[4-[[(1S,3S,4S)-3-ethyl-4-methylcyclopentyl]amino]pyrimidine-5-carbonyl]thiophene-3-carbaldehyde;[5-chloro-4-(1-hydroxyethyl)thiophen-2-yl]-[4-[[(1S,3S,4S)-3-ethyl-4-methylcyclopentyl]amino]pyrimidin-5-yl]methanone;deuterio(fluoro)methane;ethanol;methane;oxolane;sulfamoyl chloride;bromide (CID 159749461) is magnesium;[(1S,2S,4S)-4-[[5-[4-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-5-chlorothiophene-2-carbonyl]pyrimidin-4-yl]amino]-2-methylcyclopentyl]methyl sulfamate;[4-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-5-chlorothiophen-2-yl]-[4-[[(1S,3S,4S)-3-ethyl-4-methylcyclopentyl]amino]pyrimidin-5-yl]methanone;[4-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-5-chlorothiophen-2-yl]-[4-[[(1S,3S,4S)-3-(hydroxymethyl)-4-methylcyclopentyl]amino]pyrimidin-5-yl]methanone;carbanide;2-chloro-5-[4-[[(1S,3S,4S)-3-ethyl-4-methylcyclopentyl]amino]pyrimidine-5-carbonyl]thiophene-3-carbaldehyde;[5-chloro-4-(1-hydroxyethyl)thiophen-2-yl]-[4-[[(1S,3S,4S)-3-ethyl-4-methylcyclopentyl]amino]pyrimidin-5-yl]methanone;deuterio(fluoro)methane;ethanol;methane;oxolane;sulfamoyl chloride;bromide.
What is the SMILES notation for magnesium;[(1S,2S,4S)-4-[[5-[4-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-5-chlorothiophene-2-carbonyl]pyrimidin-4-yl]amino]-2-methylcyclopentyl]methyl sulfamate;[4-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-5-chlorothiophen-2-yl]-[4-[[(1S,3S,4S)-3-ethyl-4-methylcyclopentyl]amino]pyrimidin-5-yl]methanone;[4-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-5-chlorothiophen-2-yl]-[4-[[(1S,3S,4S)-3-(hydroxymethyl)-4-methylcyclopentyl]amino]pyrimidin-5-yl]methanone;carbanide;2-chloro-5-[4-[[(1S,3S,4S)-3-ethyl-4-methylcyclopentyl]amino]pyrimidine-5-carbonyl]thiophene-3-carbaldehyde;[5-chloro-4-(1-hydroxyethyl)thiophen-2-yl]-[4-[[(1S,3S,4S)-3-ethyl-4-methylcyclopentyl]amino]pyrimidin-5-yl]methanone;deuterio(fluoro)methane;ethanol;methane;oxolane;sulfamoyl chloride;bromide?
The canonical SMILES for magnesium;[(1S,2S,4S)-4-[[5-[4-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-5-chlorothiophene-2-carbonyl]pyrimidin-4-yl]amino]-2-methylcyclopentyl]methyl sulfamate;[4-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-5-chlorothiophen-2-yl]-[4-[[(1S,3S,4S)-3-ethyl-4-methylcyclopentyl]amino]pyrimidin-5-yl]methanone;[4-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-5-chlorothiophen-2-yl]-[4-[[(1S,3S,4S)-3-(hydroxymethyl)-4-methylcyclopentyl]amino]pyrimidin-5-yl]methanone;carbanide;2-chloro-5-[4-[[(1S,3S,4S)-3-ethyl-4-methylcyclopentyl]amino]pyrimidine-5-carbonyl]thiophene-3-carbaldehyde;[5-chloro-4-(1-hydroxyethyl)thiophen-2-yl]-[4-[[(1S,3S,4S)-3-ethyl-4-methylcyclopentyl]amino]pyrimidin-5-yl]methanone;deuterio(fluoro)methane;ethanol;methane;oxolane;sulfamoyl chloride;bromide is C.C.C.C.C1CCOC1.CC(O[Si](C)(C)C(C)(C)C)c1cc(C(=O)c2cncnc2N[C@@H]2C[C@H](CO)[C@@H](C)C2)sc1Cl.CC(O[Si](C)(C)C(C)(C)C)c1cc(C(=O)c2cncnc2N[C@@H]2C[C@H](COS(N)(=O)=O)[C@@H](C)C2)sc1Cl.CCO.CC[C@H]1C[C@@H](Nc2ncncc2C(=O)c2cc(C(C)O)c(Cl)s2)C[C@@H]1C.CC[C@H]1C[C@@H](Nc2ncncc2C(=O)c2cc(C(C)O[Si](C)(C)C(C)(C)C)c(Cl)s2)C[C@@H]1C.CC[C@H]1C[C@@H](Nc2ncncc2C(=O)c2cc(C=O)c(Cl)s2)C[C@@H]1C.NS(=O)(=O)Cl.[2H]CF.[2H]CF.[Br-].[CH3-].[Mg+2].
What is the InChIKey of magnesium;[(1S,2S,4S)-4-[[5-[4-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-5-chlorothiophene-2-carbonyl]pyrimidin-4-yl]amino]-2-methylcyclopentyl]methyl sulfamate;[4-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-5-chlorothiophen-2-yl]-[4-[[(1S,3S,4S)-3-ethyl-4-methylcyclopentyl]amino]pyrimidin-5-yl]methanone;[4-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-5-chlorothiophen-2-yl]-[4-[[(1S,3S,4S)-3-(hydroxymethyl)-4-methylcyclopentyl]amino]pyrimidin-5-yl]methanone;carbanide;2-chloro-5-[4-[[(1S,3S,4S)-3-ethyl-4-methylcyclopentyl]amino]pyrimidine-5-carbonyl]thiophene-3-carbaldehyde;[5-chloro-4-(1-hydroxyethyl)thiophen-2-yl]-[4-[[(1S,3S,4S)-3-ethyl-4-methylcyclopentyl]amino]pyrimidin-5-yl]methanone;deuterio(fluoro)methane;ethanol;methane;oxolane;sulfamoyl chloride;bromide?
The InChIKey is BWPWIAXCVCNVGF-HOSHVKQCSA-M. The full InChI is InChI=1S/C25H38ClN3O2SSi.C24H37ClN4O5S2Si.C24H36ClN3O3SSi.C19H24ClN3O2S.C18H20ClN3O2S.C4H8O.C2H6O.2CH3F.4CH4.CH3.BrH.ClH2NO2S.Mg/c1-9-17-11-18(10-15(17)2)29-24-20(13-27-14-28-24)22(30)21-12-19(23(26)32-21)16(3)31-33(7,8)25(4,5)6;1-14-8-17(9-16(14)12-33-36(26,31)32)29-23-19(11-27-13-28-23)21(30)20-10-18(22(25)35-20)15(2)34-37(6,7)24(3,4)5;1-14-8-17(9-16(14)12-29)28-23-19(11-26-13-27-23)21(30)20-10-18(22(25)32-20)15(2)31-33(6,7)24(3,4)5;1-4-12-6-13(5-10(12)2)23-19-15(8-21-9-22-19)17(25)16-7-14(11(3)24)18(20)26-16;1-3-11-5-13(4-10(11)2)22-18-14(7-20-9-21-18)16(24)15-6-12(8-23)17(19)25-15;1-2-4-5-3-1;1-2-3;2*1-2;;;;;;;1-5(2,3)4;/h12-18H,9-11H2,1-8H3,(H,27,28,29);10-11,13-17H,8-9,12H2,1-7H3,(H2,26,31,32)(H,27,28,29);10-11,13-17,29H,8-9,12H2,1-7H3,(H,26,27,28);7-13,24H,4-6H2,1-3H3,(H,21,22,23);6-11,13H,3-5H2,1-2H3,(H,20,21,22);1-4H2;3H,2H2,1H3;2*1H3;4*1H4;1H3;1H;(H2,2,3,4);/q;;;;;;;;;;;;;-1;;;+2/p-1/t15-,16?,17-,18-;2*14-,15?,16+,17-;10-,11?,12-,13-;10-,11-,13-;;;;;;;;;;;;/m00000............/s1/i;;;;;;;2*1D;;;;;;;;.
What are the key properties of magnesium;[(1S,2S,4S)-4-[[5-[4-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-5-chlorothiophene-2-carbonyl]pyrimidin-4-yl]amino]-2-methylcyclopentyl]methyl sulfamate;[4-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-5-chlorothiophen-2-yl]-[4-[[(1S,3S,4S)-3-ethyl-4-methylcyclopentyl]amino]pyrimidin-5-yl]methanone;[4-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-5-chlorothiophen-2-yl]-[4-[[(1S,3S,4S)-3-(hydroxymethyl)-4-methylcyclopentyl]amino]pyrimidin-5-yl]methanone;carbanide;2-chloro-5-[4-[[(1S,3S,4S)-3-ethyl-4-methylcyclopentyl]amino]pyrimidine-5-carbonyl]thiophene-3-carbaldehyde;[5-chloro-4-(1-hydroxyethyl)thiophen-2-yl]-[4-[[(1S,3S,4S)-3-ethyl-4-methylcyclopentyl]amino]pyrimidin-5-yl]methanone;deuterio(fluoro)methane;ethanol;methane;oxolane;sulfamoyl chloride;bromide?
magnesium;[(1S,2S,4S)-4-[[5-[4-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-5-chlorothiophene-2-carbonyl]pyrimidin-4-yl]amino]-2-methylcyclopentyl]methyl sulfamate;[4-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-5-chlorothiophen-2-yl]-[4-[[(1S,3S,4S)-3-ethyl-4-methylcyclopentyl]amino]pyrimidin-5-yl]methanone;[4-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-5-chlorothiophen-2-yl]-[4-[[(1S,3S,4S)-3-(hydroxymethyl)-4-methylcyclopentyl]amino]pyrimidin-5-yl]methanone;carbanide;2-chloro-5-[4-[[(1S,3S,4S)-3-ethyl-4-methylcyclopentyl]amino]pyrimidine-5-carbonyl]thiophene-3-carbaldehyde;[5-chloro-4-(1-hydroxyethyl)thiophen-2-yl]-[4-[[(1S,3S,4S)-3-ethyl-4-methylcyclopentyl]amino]pyrimidin-5-yl]methanone;deuterio(fluoro)methane;ethanol;methane;oxolane;sulfamoyl chloride;bromide has a molecular weight of 2866.68 g/mol, XLogP of 29.82, 38 rotatable bonds, 10 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;[(1S,2S,4S)-4-[[5-[4-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-5-chlorothiophene-2-carbonyl]pyrimidin-4-yl]amino]-2-methylcyclopentyl]methyl sulfamate;[4-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-5-chlorothiophen-2-yl]-[4-[[(1S,3S,4S)-3-ethyl-4-methylcyclopentyl]amino]pyrimidin-5-yl]methanone;[4-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-5-chlorothiophen-2-yl]-[4-[[(1S,3S,4S)-3-(hydroxymethyl)-4-methylcyclopentyl]amino]pyrimidin-5-yl]methanone;carbanide;2-chloro-5-[4-[[(1S,3S,4S)-3-ethyl-4-methylcyclopentyl]amino]pyrimidine-5-carbonyl]thiophene-3-carbaldehyde;[5-chloro-4-(1-hydroxyethyl)thiophen-2-yl]-[4-[[(1S,3S,4S)-3-ethyl-4-methylcyclopentyl]amino]pyrimidin-5-yl]methanone;deuterio(fluoro)methane;ethanol;methane;oxolane;sulfamoyl chloride;bromide is sourced from PubChem (CID 159749461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).