1-bromobutan-2-one;tert-butyl-chloro-dimethylsilane;2-[8-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-2,6-dioxo-1-(2-oxobutyl)purin-7-yl]-N-[6-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]propanamide;6-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methyl-3-(2-oxobutyl)-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione;2-(chloromethoxy)ethyl-trimethylsilane;2-chloro-N-[6-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]propanamide;6-(hydroxymethyl)-1-methyl-3-(2-oxobutyl)-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione;8-(hydroxymethyl)-3-methyl-1-(2-oxobutyl)-7-(2-trimethylsilylethoxymethyl)purine-2,6-dione;6-(hydroxymethyl)-1-methyl-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione;8-(hydroxymethyl)-3-methyl-7-(2-trimethylsilylethoxymethyl)purine-2,6-dione;methane

C131H197BrCl3F6N27O28Si6 — CID 158120804

IUPAC1-bromobutan-2-one;tert-butyl-chloro-dimethylsilane;2-[8-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-2,6-dioxo-1-(2-oxobutyl)purin-7-yl]-N-[6-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]propanamide;6-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methyl-3-(2-oxobutyl)-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione;2-(chloromethoxy)ethyl-trimethylsilane;2-chloro-N-[6-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]propanamide;6-(hydroxymethyl)-1-methyl-3-(2-oxobutyl)-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione;8-(hydroxymethyl)-3-methyl-1-(2-oxobutyl)-7-(2-trimethylsilylethoxymethyl)purine-2,6-dione;6-(hydroxymethyl)-1-methyl-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione;8-(hydroxymethyl)-3-methyl-7-(2-trimethylsilylethoxymethyl)purine-2,6-dione;methane
SMILESC.C.CC(C)(C)[Si](C)(C)Cl.CC(Cl)C(=O)Nc1cccc(-c2ccc(C(F)(F)F)nc2)n1.CCC(=O)CBr.CCC(=O)Cn1c(=O)c2c(n(C)c1=O)N=C(CO)C2.CCC(=O)Cn1c(=O)c2c(n(C)c1=O)N=C(CO[Si](C)(C)C(C)(C)C)C2.CCC(=O)Cn1c(=O)c2c(nc(CO)n2COCC[Si](C)(C)C)n(C)c1=O.CCC(=O)Cn1c(=O)c2c(nc(CO[Si](C)(C)C(C)(C)C)n2C(C)C(=O)Nc2cccc(-c3ccc(C(F)(F)F)nc3)n2)n(C)c1=O.C[Si](C)(C)CCOCCl.Cn1c(=O)[nH]c(=O)c2c1nc(CO)n2COCC[Si](C)(C)C.Cn1c2c(c(=O)[nH]c1=O)CC(CO)=N2
InChIInChI=1S/C31H38F3N7O5Si.C18H29N3O4Si.C17H28N4O5Si.C14H11ClF3N3O.C13H22N4O4Si.C12H15N3O4.C8H9N3O3.C6H15ClOSi.C6H15ClSi.C4H7BrO.2CH4/c1-9-20(42)16-40-28(44)25-26(39(6)29(40)45)38-24(17-46-47(7,8)30(3,4)5)41(25)18(2)27(43)37-23-12-10-11-21(36-23)19-13-14-22(35-15-19)31(32,33)34;1-8-13(22)10-21-16(23)14-9-12(19-15(14)20(5)17(21)24)11-25-26(6,7)18(2,3)4;1-6-12(23)9-20-16(24)14-15(19(2)17(20)25)18-13(10-22)21(14)11-26-7-8-27(3,4)5;1-8(15)13(22)21-12-4-2-3-10(20-12)9-5-6-11(19-7-9)14(16,17)18;1-16-11-10(12(19)15-13(16)20)17(9(7-18)14-11)8-21-5-6-22(2,3)4;1-3-8(17)5-15-11(18)9-4-7(6-16)13-10(9)14(2)12(15)19;1-11-6-5(2-4(3-12)9-6)7(13)10-8(11)14;1-9(2,3)5-4-8-6-7;1-6(2,3)8(4,5)7;1-2-4(6)3-5;;/h10-15,18H,9,16-17H2,1-8H3,(H,36,37,43);8-11H2,1-7H3;22H,6-11H2,1-5H3;2-8H,1H3,(H,20,21,22);18H,5-8H2,1-4H3,(H,15,19,20);16H,3-6H2,1-2H3;12H,2-3H2,1H3,(H,10,13,14);4-6H2,1-3H3;1-5H3;2-3H2,1H3;2*1H4
InChIKeyFROTXOJZFIAKOS-UHFFFAOYSA-N
MW3066.94 g/mol
LogP18.13
Rot. Bonds45

About 1-bromobutan-2-one;tert-butyl-chloro-dimethylsilane;2-[8-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-2,6-dioxo-1-(2-oxobutyl)purin-7-yl]-N-[6-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]propanamide;6-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methyl-3-(2-oxobutyl)-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione;2-(chloromethoxy)ethyl-trimethylsilane;2-chloro-N-[6-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]propanamide;6-(hydroxymethyl)-1-methyl-3-(2-oxobutyl)-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione;8-(hydroxymethyl)-3-methyl-1-(2-oxobutyl)-7-(2-trimethylsilylethoxymethyl)purine-2,6-dione;6-(hydroxymethyl)-1-methyl-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione;8-(hydroxymethyl)-3-methyl-7-(2-trimethylsilylethoxymethyl)purine-2,6-dione;methane

1-bromobutan-2-one;tert-butyl-chloro-dimethylsilane;2-[8-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-2,6-dioxo-1-(2-oxobutyl)purin-7-yl]-N-[6-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]propanamide;6-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methyl-3-(2-oxobutyl)-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione;2-(chloromethoxy)ethyl-trimethylsilane;2-chloro-N-[6-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]propanamide;6-(hydroxymethyl)-1-methyl-3-(2-oxobutyl)-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione;8-(hydroxymethyl)-3-methyl-1-(2-oxobutyl)-7-(2-trimethylsilylethoxymethyl)purine-2,6-dione;6-(hydroxymethyl)-1-methyl-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione;8-(hydroxymethyl)-3-methyl-7-(2-trimethylsilylethoxymethyl)purine-2,6-dione;methane (PubChem CID 158120804) has the molecular formula C131H197BrCl3F6N27O28Si6 and a molecular weight of 3066.94 g/mol. Its IUPAC name is 1-bromobutan-2-one;tert-butyl-chloro-dimethylsilane;2-[8-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-2,6-dioxo-1-(2-oxobutyl)purin-7-yl]-N-[6-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]propanamide;6-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methyl-3-(2-oxobutyl)-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione;2-(chloromethoxy)ethyl-trimethylsilane;2-chloro-N-[6-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]propanamide;6-(hydroxymethyl)-1-methyl-3-(2-oxobutyl)-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione;8-(hydroxymethyl)-3-methyl-1-(2-oxobutyl)-7-(2-trimethylsilylethoxymethyl)purine-2,6-dione;6-(hydroxymethyl)-1-methyl-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione;8-(hydroxymethyl)-3-methyl-7-(2-trimethylsilylethoxymethyl)purine-2,6-dione;methane.

Molecular Properties

Compound Name1-bromobutan-2-one;tert-butyl-chloro-dimethylsilane;2-[8-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-2,6-dioxo-1-(2-oxobutyl)purin-7-yl]-N-[6-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]propanamide;6-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methyl-3-(2-oxobutyl)-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione;2-(chloromethoxy)ethyl-trimethylsilane;2-chloro-N-[6-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]propanamide;6-(hydroxymethyl)-1-methyl-3-(2-oxobutyl)-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione;8-(hydroxymethyl)-3-methyl-1-(2-oxobutyl)-7-(2-trimethylsilylethoxymethyl)purine-2,6-dione;6-(hydroxymethyl)-1-methyl-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione;8-(hydroxymethyl)-3-methyl-7-(2-trimethylsilylethoxymethyl)purine-2,6-dione;methane
PubChem CID158120804
Molecular FormulaC131H197BrCl3F6N27O28Si6
Molecular Weight3066.94 g/mol
Exact Mass3062.16
IUPAC Name1-bromobutan-2-one;tert-butyl-chloro-dimethylsilane;2-[8-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-2,6-dioxo-1-(2-oxobutyl)purin-7-yl]-N-[6-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]propanamide;6-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methyl-3-(2-oxobutyl)-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione;2-(chloromethoxy)ethyl-trimethylsilane;2-chloro-N-[6-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]propanamide;6-(hydroxymethyl)-1-methyl-3-(2-oxobutyl)-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione;8-(hydroxymethyl)-3-methyl-1-(2-oxobutyl)-7-(2-trimethylsilylethoxymethyl)purine-2,6-dione;6-(hydroxymethyl)-1-methyl-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione;8-(hydroxymethyl)-3-methyl-7-(2-trimethylsilylethoxymethyl)purine-2,6-dione;methane
SMILESC.C.CC(C)(C)[Si](C)(C)Cl.CC(Cl)C(=O)Nc1cccc(-c2ccc(C(F)(F)F)nc2)n1.CCC(=O)CBr.CCC(=O)Cn1c(=O)c2c(n(C)c1=O)N=C(CO)C2.CCC(=O)Cn1c(=O)c2c(n(C)c1=O)N=C(CO[Si](C)(C)C(C)(C)C)C2.CCC(=O)Cn1c(=O)c2c(nc(CO)n2COCC[Si](C)(C)C)n(C)c1=O.CCC(=O)Cn1c(=O)c2c(nc(CO[Si](C)(C)C(C)(C)C)n2C(C)C(=O)Nc2cccc(-c3ccc(C(F)(F)F)nc3)n2)n(C)c1=O.C[Si](C)(C)CCOCCl.Cn1c(=O)[nH]c(=O)c2c1nc(CO)n2COCC[Si](C)(C)C.Cn1c2c(c(=O)[nH]c1=O)CC(CO)=N2
InChIInChI=1S/C31H38F3N7O5Si.C18H29N3O4Si.C17H28N4O5Si.C14H11ClF3N3O.C13H22N4O4Si.C12H15N3O4.C8H9N3O3.C6H15ClOSi.C6H15ClSi.C4H7BrO.2CH4/c1-9-20(42)16-40-28(44)25-26(39(6)29(40)45)38-24(17-46-47(7,8)30(3,4)5)41(25)18(2)27(43)37-23-12-10-11-21(36-23)19-13-14-22(35-15-19)31(32,33)34;1-8-13(22)10-21-16(23)14-9-12(19-15(14)20(5)17(21)24)11-25-26(6,7)18(2,3)4;1-6-12(23)9-20-16(24)14-15(19(2)17(20)25)18-13(10-22)21(14)11-26-7-8-27(3,4)5;1-8(15)13(22)21-12-4-2-3-10(20-12)9-5-6-11(19-7-9)14(16,17)18;1-16-11-10(12(19)15-13(16)20)17(9(7-18)14-11)8-21-5-6-22(2,3)4;1-3-8(17)5-15-11(18)9-4-7(6-16)13-10(9)14(2)12(15)19;1-11-6-5(2-4(3-12)9-6)7(13)10-8(11)14;1-9(2,3)5-4-8-6-7;1-6(2,3)8(4,5)7;1-2-4(6)3-5;;/h10-15,18H,9,16-17H2,1-8H3,(H,36,37,43);8-11H2,1-7H3;22H,6-11H2,1-5H3;2-8H,1H3,(H,20,21,22);18H,5-8H2,1-4H3,(H,15,19,20);16H,3-6H2,1-2H3;12H,2-3H2,1H3,(H,10,13,14);4-6H2,1-3H3;1-5H3;2-3H2,1H3;2*1H4
InChIKeyFROTXOJZFIAKOS-UHFFFAOYSA-N
XLogP18.13
TPSA698.44 Ų
H-Bond Donors8
H-Bond Acceptors51
Rotatable Bonds45
Heavy Atoms202
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003066.94
LogP ≤ 518.13
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1051

Computed Properties (RDKit)

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

Analyze 1-bromobutan-2-one;tert-butyl-chloro-dimethylsilane;2-[8-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-2,6-dioxo-1-(2-oxobutyl)purin-7-yl]-N-[6-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]propanamide;6-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methyl-3-(2-oxobutyl)-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione;2-(chloromethoxy)ethyl-trimethylsilane;2-chloro-N-[6-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]propanamide;6-(hydroxymethyl)-1-methyl-3-(2-oxobutyl)-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione;8-(hydroxymethyl)-3-methyl-1-(2-oxobutyl)-7-(2-trimethylsilylethoxymethyl)purine-2,6-dione;6-(hydroxymethyl)-1-methyl-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione;8-(hydroxymethyl)-3-methyl-7-(2-trimethylsilylethoxymethyl)purine-2,6-dione;methane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-bromobutan-2-one;tert-butyl-chloro-dimethylsilane;2-[8-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-2,6-dioxo-1-(2-oxobutyl)purin-7-yl]-N-[6-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]propanamide;6-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methyl-3-(2-oxobutyl)-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione;2-(chloromethoxy)ethyl-trimethylsilane;2-chloro-N-[6-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]propanamide;6-(hydroxymethyl)-1-methyl-3-(2-oxobutyl)-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione;8-(hydroxymethyl)-3-methyl-1-(2-oxobutyl)-7-(2-trimethylsilylethoxymethyl)purine-2,6-dione;6-(hydroxymethyl)-1-methyl-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione;8-(hydroxymethyl)-3-methyl-7-(2-trimethylsilylethoxymethyl)purine-2,6-dione;methane?
The IUPAC name of 1-bromobutan-2-one;tert-butyl-chloro-dimethylsilane;2-[8-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-2,6-dioxo-1-(2-oxobutyl)purin-7-yl]-N-[6-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]propanamide;6-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methyl-3-(2-oxobutyl)-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione;2-(chloromethoxy)ethyl-trimethylsilane;2-chloro-N-[6-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]propanamide;6-(hydroxymethyl)-1-methyl-3-(2-oxobutyl)-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione;8-(hydroxymethyl)-3-methyl-1-(2-oxobutyl)-7-(2-trimethylsilylethoxymethyl)purine-2,6-dione;6-(hydroxymethyl)-1-methyl-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione;8-(hydroxymethyl)-3-methyl-7-(2-trimethylsilylethoxymethyl)purine-2,6-dione;methane (CID 158120804) is 1-bromobutan-2-one;tert-butyl-chloro-dimethylsilane;2-[8-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-2,6-dioxo-1-(2-oxobutyl)purin-7-yl]-N-[6-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]propanamide;6-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methyl-3-(2-oxobutyl)-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione;2-(chloromethoxy)ethyl-trimethylsilane;2-chloro-N-[6-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]propanamide;6-(hydroxymethyl)-1-methyl-3-(2-oxobutyl)-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione;8-(hydroxymethyl)-3-methyl-1-(2-oxobutyl)-7-(2-trimethylsilylethoxymethyl)purine-2,6-dione;6-(hydroxymethyl)-1-methyl-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione;8-(hydroxymethyl)-3-methyl-7-(2-trimethylsilylethoxymethyl)purine-2,6-dione;methane.
What is the SMILES notation for 1-bromobutan-2-one;tert-butyl-chloro-dimethylsilane;2-[8-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-2,6-dioxo-1-(2-oxobutyl)purin-7-yl]-N-[6-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]propanamide;6-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methyl-3-(2-oxobutyl)-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione;2-(chloromethoxy)ethyl-trimethylsilane;2-chloro-N-[6-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]propanamide;6-(hydroxymethyl)-1-methyl-3-(2-oxobutyl)-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione;8-(hydroxymethyl)-3-methyl-1-(2-oxobutyl)-7-(2-trimethylsilylethoxymethyl)purine-2,6-dione;6-(hydroxymethyl)-1-methyl-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione;8-(hydroxymethyl)-3-methyl-7-(2-trimethylsilylethoxymethyl)purine-2,6-dione;methane?
The canonical SMILES for 1-bromobutan-2-one;tert-butyl-chloro-dimethylsilane;2-[8-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-2,6-dioxo-1-(2-oxobutyl)purin-7-yl]-N-[6-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]propanamide;6-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methyl-3-(2-oxobutyl)-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione;2-(chloromethoxy)ethyl-trimethylsilane;2-chloro-N-[6-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]propanamide;6-(hydroxymethyl)-1-methyl-3-(2-oxobutyl)-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione;8-(hydroxymethyl)-3-methyl-1-(2-oxobutyl)-7-(2-trimethylsilylethoxymethyl)purine-2,6-dione;6-(hydroxymethyl)-1-methyl-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione;8-(hydroxymethyl)-3-methyl-7-(2-trimethylsilylethoxymethyl)purine-2,6-dione;methane is C.C.CC(C)(C)[Si](C)(C)Cl.CC(Cl)C(=O)Nc1cccc(-c2ccc(C(F)(F)F)nc2)n1.CCC(=O)CBr.CCC(=O)Cn1c(=O)c2c(n(C)c1=O)N=C(CO)C2.CCC(=O)Cn1c(=O)c2c(n(C)c1=O)N=C(CO[Si](C)(C)C(C)(C)C)C2.CCC(=O)Cn1c(=O)c2c(nc(CO)n2COCC[Si](C)(C)C)n(C)c1=O.CCC(=O)Cn1c(=O)c2c(nc(CO[Si](C)(C)C(C)(C)C)n2C(C)C(=O)Nc2cccc(-c3ccc(C(F)(F)F)nc3)n2)n(C)c1=O.C[Si](C)(C)CCOCCl.Cn1c(=O)[nH]c(=O)c2c1nc(CO)n2COCC[Si](C)(C)C.Cn1c2c(c(=O)[nH]c1=O)CC(CO)=N2.
What is the InChIKey of 1-bromobutan-2-one;tert-butyl-chloro-dimethylsilane;2-[8-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-2,6-dioxo-1-(2-oxobutyl)purin-7-yl]-N-[6-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]propanamide;6-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methyl-3-(2-oxobutyl)-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione;2-(chloromethoxy)ethyl-trimethylsilane;2-chloro-N-[6-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]propanamide;6-(hydroxymethyl)-1-methyl-3-(2-oxobutyl)-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione;8-(hydroxymethyl)-3-methyl-1-(2-oxobutyl)-7-(2-trimethylsilylethoxymethyl)purine-2,6-dione;6-(hydroxymethyl)-1-methyl-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione;8-(hydroxymethyl)-3-methyl-7-(2-trimethylsilylethoxymethyl)purine-2,6-dione;methane?
The InChIKey is FROTXOJZFIAKOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H38F3N7O5Si.C18H29N3O4Si.C17H28N4O5Si.C14H11ClF3N3O.C13H22N4O4Si.C12H15N3O4.C8H9N3O3.C6H15ClOSi.C6H15ClSi.C4H7BrO.2CH4/c1-9-20(42)16-40-28(44)25-26(39(6)29(40)45)38-24(17-46-47(7,8)30(3,4)5)41(25)18(2)27(43)37-23-12-10-11-21(36-23)19-13-14-22(35-15-19)31(32,33)34;1-8-13(22)10-21-16(23)14-9-12(19-15(14)20(5)17(21)24)11-25-26(6,7)18(2,3)4;1-6-12(23)9-20-16(24)14-15(19(2)17(20)25)18-13(10-22)21(14)11-26-7-8-27(3,4)5;1-8(15)13(22)21-12-4-2-3-10(20-12)9-5-6-11(19-7-9)14(16,17)18;1-16-11-10(12(19)15-13(16)20)17(9(7-18)14-11)8-21-5-6-22(2,3)4;1-3-8(17)5-15-11(18)9-4-7(6-16)13-10(9)14(2)12(15)19;1-11-6-5(2-4(3-12)9-6)7(13)10-8(11)14;1-9(2,3)5-4-8-6-7;1-6(2,3)8(4,5)7;1-2-4(6)3-5;;/h10-15,18H,9,16-17H2,1-8H3,(H,36,37,43);8-11H2,1-7H3;22H,6-11H2,1-5H3;2-8H,1H3,(H,20,21,22);18H,5-8H2,1-4H3,(H,15,19,20);16H,3-6H2,1-2H3;12H,2-3H2,1H3,(H,10,13,14);4-6H2,1-3H3;1-5H3;2-3H2,1H3;2*1H4.
What are the key properties of 1-bromobutan-2-one;tert-butyl-chloro-dimethylsilane;2-[8-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-2,6-dioxo-1-(2-oxobutyl)purin-7-yl]-N-[6-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]propanamide;6-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methyl-3-(2-oxobutyl)-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione;2-(chloromethoxy)ethyl-trimethylsilane;2-chloro-N-[6-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]propanamide;6-(hydroxymethyl)-1-methyl-3-(2-oxobutyl)-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione;8-(hydroxymethyl)-3-methyl-1-(2-oxobutyl)-7-(2-trimethylsilylethoxymethyl)purine-2,6-dione;6-(hydroxymethyl)-1-methyl-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione;8-(hydroxymethyl)-3-methyl-7-(2-trimethylsilylethoxymethyl)purine-2,6-dione;methane?
1-bromobutan-2-one;tert-butyl-chloro-dimethylsilane;2-[8-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-2,6-dioxo-1-(2-oxobutyl)purin-7-yl]-N-[6-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]propanamide;6-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methyl-3-(2-oxobutyl)-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione;2-(chloromethoxy)ethyl-trimethylsilane;2-chloro-N-[6-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]propanamide;6-(hydroxymethyl)-1-methyl-3-(2-oxobutyl)-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione;8-(hydroxymethyl)-3-methyl-1-(2-oxobutyl)-7-(2-trimethylsilylethoxymethyl)purine-2,6-dione;6-(hydroxymethyl)-1-methyl-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione;8-(hydroxymethyl)-3-methyl-7-(2-trimethylsilylethoxymethyl)purine-2,6-dione;methane has a molecular weight of 3066.94 g/mol, XLogP of 18.13, 45 rotatable bonds, 8 hydrogen bond donors, and 51 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromobutan-2-one;tert-butyl-chloro-dimethylsilane;2-[8-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-2,6-dioxo-1-(2-oxobutyl)purin-7-yl]-N-[6-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]propanamide;6-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methyl-3-(2-oxobutyl)-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione;2-(chloromethoxy)ethyl-trimethylsilane;2-chloro-N-[6-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]propanamide;6-(hydroxymethyl)-1-methyl-3-(2-oxobutyl)-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione;8-(hydroxymethyl)-3-methyl-1-(2-oxobutyl)-7-(2-trimethylsilylethoxymethyl)purine-2,6-dione;6-(hydroxymethyl)-1-methyl-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione;8-(hydroxymethyl)-3-methyl-7-(2-trimethylsilylethoxymethyl)purine-2,6-dione;methane is sourced from PubChem (CID 158120804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).