5-[[4-amino-6-bromo-2-butoxy-5-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]methyl]pyridine-2-carbaldehyde;[4-amino-2-butoxy-5-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]-(6-chloro-3-pyridinyl)methanol;7-bromo-2-butoxy-5-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-d]pyrimidin-4-amine;2-butoxy-7-[(6-chloro-3-pyridinyl)methyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-d]pyrimidin-4-amine;6-chloropyridine-3-carbaldehyde;methane;methyl 5-[[4-amino-6-bromo-2-butoxy-5-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]methyl]pyridine-2-carboxylate;methyl 5-[[4-amino-2-butoxy-5-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]methyl]pyridine-2-carboxylate

C139H204Br3Cl3N30O19Si6 — CID 162016083

IUPAC5-[[4-amino-6-bromo-2-butoxy-5-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]methyl]pyridine-2-carbaldehyde;[4-amino-2-butoxy-5-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]-(6-chloro-3-pyridinyl)methanol;7-bromo-2-butoxy-5-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-d]pyrimidin-4-amine;2-butoxy-7-[(6-chloro-3-pyridinyl)methyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-d]pyrimidin-4-amine;6-chloropyridine-3-carbaldehyde;methane;methyl 5-[[4-amino-6-bromo-2-butoxy-5-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]methyl]pyridine-2-carboxylate;methyl 5-[[4-amino-2-butoxy-5-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]methyl]pyridine-2-carboxylate
SMILESC.C.CCCCOc1nc(N)c2c(n1)c(Br)cn2COCC[Si](C)(C)C.CCCCOc1nc(N)c2c(n1)c(C(O)c1ccc(Cl)nc1)cn2COCC[Si](C)(C)C.CCCCOc1nc(N)c2c(n1)c(Cc1ccc(C(=O)OC)nc1)c(Br)n2COCC[Si](C)(C)C.CCCCOc1nc(N)c2c(n1)c(Cc1ccc(C(=O)OC)nc1)cn2COCC[Si](C)(C)C.CCCCOc1nc(N)c2c(n1)c(Cc1ccc(C=O)nc1)c(Br)n2COCC[Si](C)(C)C.CCCCOc1nc(N)c2c(n1)c(Cc1ccc(Cl)nc1)cn2COCC[Si](C)(C)C.O=Cc1ccc(Cl)nc1
InChIInChI=1S/C24H34BrN5O4Si.C24H35N5O4Si.C23H32BrN5O3Si.C22H32ClN5O3Si.C22H32ClN5O2Si.C16H27BrN4O2Si.C6H4ClNO.2CH4/c1-6-7-10-34-24-28-19-17(13-16-8-9-18(27-14-16)23(31)32-2)21(25)30(20(19)22(26)29-24)15-33-11-12-35(3,4)5;1-6-7-10-33-24-27-20-18(13-17-8-9-19(26-14-17)23(30)31-2)15-29(21(20)22(25)28-24)16-32-11-12-34(3,4)5;1-5-6-9-32-23-27-19-18(12-16-7-8-17(14-30)26-13-16)21(24)29(20(19)22(25)28-23)15-31-10-11-33(2,3)4;1-5-6-9-31-22-26-18-16(20(29)15-7-8-17(23)25-12-15)13-28(19(18)21(24)27-22)14-30-10-11-32(2,3)4;1-5-6-9-30-22-26-19-17(12-16-7-8-18(23)25-13-16)14-28(20(19)21(24)27-22)15-29-10-11-31(2,3)4;1-5-6-7-23-16-19-13-12(17)10-21(14(13)15(18)20-16)11-22-8-9-24(2,3)4;7-6-2-1-5(4-9)3-8-6;;/h8-9,14H,6-7,10-13,15H2,1-5H3,(H2,26,28,29);8-9,14-15H,6-7,10-13,16H2,1-5H3,(H2,25,27,28);7-8,13-14H,5-6,9-12,15H2,1-4H3,(H2,25,27,28);7-8,12-13,20,29H,5-6,9-11,14H2,1-4H3,(H2,24,26,27);7-8,13-14H,5-6,9-12,15H2,1-4H3,(H2,24,26,27);10H,5-9,11H2,1-4H3,(H2,18,19,20);1-4H;2*1H4
InChIKeyYUCWIJBGUUXVGW-UHFFFAOYSA-N
MW3113.94 g/mol
LogP31.25
Rot. Bonds68

About 5-[[4-amino-6-bromo-2-butoxy-5-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]methyl]pyridine-2-carbaldehyde;[4-amino-2-butoxy-5-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]-(6-chloro-3-pyridinyl)methanol;7-bromo-2-butoxy-5-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-d]pyrimidin-4-amine;2-butoxy-7-[(6-chloro-3-pyridinyl)methyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-d]pyrimidin-4-amine;6-chloropyridine-3-carbaldehyde;methane;methyl 5-[[4-amino-6-bromo-2-butoxy-5-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]methyl]pyridine-2-carboxylate;methyl 5-[[4-amino-2-butoxy-5-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]methyl]pyridine-2-carboxylate

5-[[4-amino-6-bromo-2-butoxy-5-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]methyl]pyridine-2-carbaldehyde;[4-amino-2-butoxy-5-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]-(6-chloro-3-pyridinyl)methanol;7-bromo-2-butoxy-5-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-d]pyrimidin-4-amine;2-butoxy-7-[(6-chloro-3-pyridinyl)methyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-d]pyrimidin-4-amine;6-chloropyridine-3-carbaldehyde;methane;methyl 5-[[4-amino-6-bromo-2-butoxy-5-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]methyl]pyridine-2-carboxylate;methyl 5-[[4-amino-2-butoxy-5-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]methyl]pyridine-2-carboxylate (PubChem CID 162016083) has the molecular formula C139H204Br3Cl3N30O19Si6 and a molecular weight of 3113.94 g/mol. Its IUPAC name is 5-[[4-amino-6-bromo-2-butoxy-5-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]methyl]pyridine-2-carbaldehyde;[4-amino-2-butoxy-5-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]-(6-chloro-3-pyridinyl)methanol;7-bromo-2-butoxy-5-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-d]pyrimidin-4-amine;2-butoxy-7-[(6-chloro-3-pyridinyl)methyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-d]pyrimidin-4-amine;6-chloropyridine-3-carbaldehyde;methane;methyl 5-[[4-amino-6-bromo-2-butoxy-5-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]methyl]pyridine-2-carboxylate;methyl 5-[[4-amino-2-butoxy-5-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]methyl]pyridine-2-carboxylate.

Molecular Properties

Compound Name5-[[4-amino-6-bromo-2-butoxy-5-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]methyl]pyridine-2-carbaldehyde;[4-amino-2-butoxy-5-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]-(6-chloro-3-pyridinyl)methanol;7-bromo-2-butoxy-5-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-d]pyrimidin-4-amine;2-butoxy-7-[(6-chloro-3-pyridinyl)methyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-d]pyrimidin-4-amine;6-chloropyridine-3-carbaldehyde;methane;methyl 5-[[4-amino-6-bromo-2-butoxy-5-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]methyl]pyridine-2-carboxylate;methyl 5-[[4-amino-2-butoxy-5-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]methyl]pyridine-2-carboxylate
PubChem CID162016083
Molecular FormulaC139H204Br3Cl3N30O19Si6
Molecular Weight3113.94 g/mol
Exact Mass3107.12
IUPAC Name5-[[4-amino-6-bromo-2-butoxy-5-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]methyl]pyridine-2-carbaldehyde;[4-amino-2-butoxy-5-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]-(6-chloro-3-pyridinyl)methanol;7-bromo-2-butoxy-5-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-d]pyrimidin-4-amine;2-butoxy-7-[(6-chloro-3-pyridinyl)methyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-d]pyrimidin-4-amine;6-chloropyridine-3-carbaldehyde;methane;methyl 5-[[4-amino-6-bromo-2-butoxy-5-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]methyl]pyridine-2-carboxylate;methyl 5-[[4-amino-2-butoxy-5-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]methyl]pyridine-2-carboxylate
SMILESC.C.CCCCOc1nc(N)c2c(n1)c(Br)cn2COCC[Si](C)(C)C.CCCCOc1nc(N)c2c(n1)c(C(O)c1ccc(Cl)nc1)cn2COCC[Si](C)(C)C.CCCCOc1nc(N)c2c(n1)c(Cc1ccc(C(=O)OC)nc1)c(Br)n2COCC[Si](C)(C)C.CCCCOc1nc(N)c2c(n1)c(Cc1ccc(C(=O)OC)nc1)cn2COCC[Si](C)(C)C.CCCCOc1nc(N)c2c(n1)c(Cc1ccc(C=O)nc1)c(Br)n2COCC[Si](C)(C)C.CCCCOc1nc(N)c2c(n1)c(Cc1ccc(Cl)nc1)cn2COCC[Si](C)(C)C.O=Cc1ccc(Cl)nc1
InChIInChI=1S/C24H34BrN5O4Si.C24H35N5O4Si.C23H32BrN5O3Si.C22H32ClN5O3Si.C22H32ClN5O2Si.C16H27BrN4O2Si.C6H4ClNO.2CH4/c1-6-7-10-34-24-28-19-17(13-16-8-9-18(27-14-16)23(31)32-2)21(25)30(20(19)22(26)29-24)15-33-11-12-35(3,4)5;1-6-7-10-33-24-27-20-18(13-17-8-9-19(26-14-17)23(30)31-2)15-29(21(20)22(25)28-24)16-32-11-12-34(3,4)5;1-5-6-9-32-23-27-19-18(12-16-7-8-17(14-30)26-13-16)21(24)29(20(19)22(25)28-23)15-31-10-11-33(2,3)4;1-5-6-9-31-22-26-18-16(20(29)15-7-8-17(23)25-12-15)13-28(19(18)21(24)27-22)14-30-10-11-32(2,3)4;1-5-6-9-30-22-26-19-17(12-16-7-8-18(23)25-13-16)14-28(20(19)21(24)27-22)15-29-10-11-31(2,3)4;1-5-6-7-23-16-19-13-12(17)10-21(14(13)15(18)20-16)11-22-8-9-24(2,3)4;7-6-2-1-5(4-9)3-8-6;;/h8-9,14H,6-7,10-13,15H2,1-5H3,(H2,26,28,29);8-9,14-15H,6-7,10-13,16H2,1-5H3,(H2,25,27,28);7-8,13-14H,5-6,9-12,15H2,1-4H3,(H2,25,27,28);7-8,12-13,20,29H,5-6,9-11,14H2,1-4H3,(H2,24,26,27);7-8,13-14H,5-6,9-12,15H2,1-4H3,(H2,24,26,27);10H,5-9,11H2,1-4H3,(H2,18,19,20);1-4H;2*1H4
InChIKeyYUCWIJBGUUXVGW-UHFFFAOYSA-N
XLogP31.25
TPSA635.45 Ų
H-Bond Donors7
H-Bond Acceptors49
Rotatable Bonds68
Heavy Atoms200
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003113.94
LogP ≤ 531.25
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1049

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 5-[[4-amino-6-bromo-2-butoxy-5-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]methyl]pyridine-2-carbaldehyde;[4-amino-2-butoxy-5-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]-(6-chloro-3-pyridinyl)methanol;7-bromo-2-butoxy-5-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-d]pyrimidin-4-amine;2-butoxy-7-[(6-chloro-3-pyridinyl)methyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-d]pyrimidin-4-amine;6-chloropyridine-3-carbaldehyde;methane;methyl 5-[[4-amino-6-bromo-2-butoxy-5-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]methyl]pyridine-2-carboxylate;methyl 5-[[4-amino-2-butoxy-5-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]methyl]pyridine-2-carboxylate with MolForge

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Related Compounds

CID 157480829
CID 157480829
[4-Amino-2-butoxy-5-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]-(6-chloro-3-pyridinyl)methanol;7-bromo-2-butoxy-5-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-d]pyrimidin-4-amine;2-butoxy-7-[(6-chloro-3-pyridinyl)methyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-d]pyrimidin-4-amine;6-chloropyridine-3-carbaldehyde;methyl 5-[[4-amino-6-bromo-2-butoxy-5-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]methyl]pyridine-2-carboxylate;methyl 5-[[4-amino-2-butoxy-5-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]methyl]pyridine-2-carboxylate
CID 158268275
CID 158413737
CID 158413737
bromo-[[5-(3-chloro-5-methylphenyl)-5-methyl-4H-1,2-oxazol-3-yl]methyl]-triphenyl-lambda5-phosphane;8-bromoimidazo[1,5-a]pyridine-5-carbaldehyde;3-[(E)-2-(8-bromoimidazo[1,5-a]pyridin-5-yl)ethenyl]-5-(3-chloro-5-methylphenyl)-5-methyl-4H-1,2-oxazole;(8-bromoimidazo[1,5-a]pyridin-5-yl)methanol;methyl 8-bromoimidazo[1,5-a]pyridine-5-carboxylate;methyl 5-[(E)-2-[5-(3-chloro-5-methylphenyl)-5-methyl-4H-1,2-oxazol-3-yl]ethenyl]imidazo[1,5-a]pyridine-8-carboxylate
CID 158916829
2-[(2,6-Dichloropurin-9-yl)methoxy]ethyl-trimethylsilane;methane;methyl 5-[2-chloro-9-(2-trimethylsilylethoxymethyl)purin-6-yl]pyridine-2-carboxylate;methyl 5-[2-morpholin-4-yl-9-(2-trimethylsilylethoxymethyl)purin-6-yl]pyridine-2-carboxylate;methyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carboxylate;5-[2-morpholin-4-yl-9-(2-trimethylsilylethoxymethyl)purin-6-yl]pyridine-2-carboxylic acid
CID 159847307
4-(6-Chloropyrimidin-4-yl)morpholine;diethyl 2-phenylimidazo[1,2-a]pyridine-3,8-dicarboxylate;3-ethoxycarbonyl-2-phenylimidazo[1,2-a]pyridine-8-carboxylic acid;ethyl 8-amino-2-phenylimidazo[1,2-a]pyridine-3-carboxylate;ethyl 8-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylimidazo[1,2-a]pyridine-3-carboxylate;ethyl 8-[(6-morpholin-4-ylpyrimidin-4-yl)amino]-2-phenylimidazo[1,2-a]pyridine-3-carboxylate
CID 160364406
6-bromo-2-ethylimidazo[1,2-a]pyridine;(6-bromoimidazo[1,2-a]pyridin-2-yl)methanol;tert-butyl-chloro-dimethylsilane;5-ethyl-6-(2-ethylimidazo[1,2-a]pyridin-6-yl)-2-oxo-1H-pyridine-3-carboxylic acid;methane;methyl 6-chloro-5-ethyl-2-methoxypyridine-3-carboxylate;bis(methyl 5-ethyl-6-(2-ethylimidazo[1,2-a]pyridin-6-yl)-2-methoxypyridine-3-carboxylate);methyl 5-ethyl-6-(2-formylimidazo[1,2-a]pyridin-6-yl)-2-methoxypyridine-3-carboxylate;methyl 5-ethyl-6-[2-(hydroxymethyl)imidazo[1,2-a]pyridin-6-yl]-2-methoxypyridine-3-carboxylate;4,4,5,5-tetramethyl-2-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]-1,3,2-dioxaborolane;dihydrochloride
CID 160402882
[2-(4-bromophenyl)-3-(hydroxymethyl)imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-chlorophenyl)-3-(hydroxymethyl)imidazo[1,2-a]pyridin-6-yl]methanol;[2-(4-chlorophenyl)-3-(hydroxymethyl)imidazo[1,2-a]pyridin-6-yl]-morpholin-4-ylmethanone;2-(4-chlorophenyl)-3-(hydroxymethyl)-N-(2-methoxyethyl)imidazo[1,2-a]pyridine-6-carboxamide;2-(4-chlorophenyl)-3-(hydroxymethyl)-N-(3-methoxypropyl)imidazo[1,2-a]pyridine-6-carboxamide;methyl 2-(4-bromophenyl)-3-(hydroxymethyl)imidazo[1,2-a]pyridine-6-carboxylate;methyl 2-(4-chlorophenyl)-3-(hydroxymethyl)imidazo[1,2-a]pyridine-6-carboxylate;hydrobromide
CID 160592577
Acetyl acetate;2-(azidomethyl)-6-cyclopropylindolizine;5-bromopyridine-2-carbaldehyde;3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[(6-cyclopropylindolizin-2-yl)methyl]triazol-4-yl]propan-1-one;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;cyclopropylboronic acid;(6-cyclopropylindolizin-2-yl)methanol;1-[(6-cyclopropylindolizin-2-yl)methyl]triazole-4-carboxylic acid;ethyl 1-[(6-cyclopropylindolizin-2-yl)methyl]triazole-4-carboxylate;ethyl prop-2-ynoate;methyl 6-bromoindolizine-2-carboxylate;methyl 2-[(5-bromo-2-pyridinyl)-hydroxymethyl]prop-2-enoate;methyl 6-cyclopropylindolizine-2-carboxylate;methyl prop-2-enoate;hydrochloride
CID 161530772
[4-amino-2-butoxy-5-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]-[6-(pyrrolidin-1-ylmethyl)-3-pyridinyl]methanol;7-bromo-2-butoxy-5-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-d]pyrimidin-4-amine;2-butoxy-7-[[6-(pyrrolidin-1-ylmethyl)-3-pyridinyl]methyl]-5H-cyclopenta[d]pyrimidin-4-amine;6-(pyrrolidin-1-ylmethyl)pyridine-3-carbaldehyde;triethylsilane
CID 162182304

Frequently Asked Questions

What is the IUPAC name of 5-[[4-amino-6-bromo-2-butoxy-5-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]methyl]pyridine-2-carbaldehyde;[4-amino-2-butoxy-5-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]-(6-chloro-3-pyridinyl)methanol;7-bromo-2-butoxy-5-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-d]pyrimidin-4-amine;2-butoxy-7-[(6-chloro-3-pyridinyl)methyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-d]pyrimidin-4-amine;6-chloropyridine-3-carbaldehyde;methane;methyl 5-[[4-amino-6-bromo-2-butoxy-5-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]methyl]pyridine-2-carboxylate;methyl 5-[[4-amino-2-butoxy-5-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]methyl]pyridine-2-carboxylate?
The IUPAC name of 5-[[4-amino-6-bromo-2-butoxy-5-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]methyl]pyridine-2-carbaldehyde;[4-amino-2-butoxy-5-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]-(6-chloro-3-pyridinyl)methanol;7-bromo-2-butoxy-5-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-d]pyrimidin-4-amine;2-butoxy-7-[(6-chloro-3-pyridinyl)methyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-d]pyrimidin-4-amine;6-chloropyridine-3-carbaldehyde;methane;methyl 5-[[4-amino-6-bromo-2-butoxy-5-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]methyl]pyridine-2-carboxylate;methyl 5-[[4-amino-2-butoxy-5-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]methyl]pyridine-2-carboxylate (CID 162016083) is 5-[[4-amino-6-bromo-2-butoxy-5-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]methyl]pyridine-2-carbaldehyde;[4-amino-2-butoxy-5-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]-(6-chloro-3-pyridinyl)methanol;7-bromo-2-butoxy-5-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-d]pyrimidin-4-amine;2-butoxy-7-[(6-chloro-3-pyridinyl)methyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-d]pyrimidin-4-amine;6-chloropyridine-3-carbaldehyde;methane;methyl 5-[[4-amino-6-bromo-2-butoxy-5-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]methyl]pyridine-2-carboxylate;methyl 5-[[4-amino-2-butoxy-5-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]methyl]pyridine-2-carboxylate.
What is the SMILES notation for 5-[[4-amino-6-bromo-2-butoxy-5-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]methyl]pyridine-2-carbaldehyde;[4-amino-2-butoxy-5-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]-(6-chloro-3-pyridinyl)methanol;7-bromo-2-butoxy-5-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-d]pyrimidin-4-amine;2-butoxy-7-[(6-chloro-3-pyridinyl)methyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-d]pyrimidin-4-amine;6-chloropyridine-3-carbaldehyde;methane;methyl 5-[[4-amino-6-bromo-2-butoxy-5-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]methyl]pyridine-2-carboxylate;methyl 5-[[4-amino-2-butoxy-5-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]methyl]pyridine-2-carboxylate?
The canonical SMILES for 5-[[4-amino-6-bromo-2-butoxy-5-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]methyl]pyridine-2-carbaldehyde;[4-amino-2-butoxy-5-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]-(6-chloro-3-pyridinyl)methanol;7-bromo-2-butoxy-5-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-d]pyrimidin-4-amine;2-butoxy-7-[(6-chloro-3-pyridinyl)methyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-d]pyrimidin-4-amine;6-chloropyridine-3-carbaldehyde;methane;methyl 5-[[4-amino-6-bromo-2-butoxy-5-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]methyl]pyridine-2-carboxylate;methyl 5-[[4-amino-2-butoxy-5-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]methyl]pyridine-2-carboxylate is C.C.CCCCOc1nc(N)c2c(n1)c(Br)cn2COCC[Si](C)(C)C.CCCCOc1nc(N)c2c(n1)c(C(O)c1ccc(Cl)nc1)cn2COCC[Si](C)(C)C.CCCCOc1nc(N)c2c(n1)c(Cc1ccc(C(=O)OC)nc1)c(Br)n2COCC[Si](C)(C)C.CCCCOc1nc(N)c2c(n1)c(Cc1ccc(C(=O)OC)nc1)cn2COCC[Si](C)(C)C.CCCCOc1nc(N)c2c(n1)c(Cc1ccc(C=O)nc1)c(Br)n2COCC[Si](C)(C)C.CCCCOc1nc(N)c2c(n1)c(Cc1ccc(Cl)nc1)cn2COCC[Si](C)(C)C.O=Cc1ccc(Cl)nc1.
What is the InChIKey of 5-[[4-amino-6-bromo-2-butoxy-5-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]methyl]pyridine-2-carbaldehyde;[4-amino-2-butoxy-5-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]-(6-chloro-3-pyridinyl)methanol;7-bromo-2-butoxy-5-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-d]pyrimidin-4-amine;2-butoxy-7-[(6-chloro-3-pyridinyl)methyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-d]pyrimidin-4-amine;6-chloropyridine-3-carbaldehyde;methane;methyl 5-[[4-amino-6-bromo-2-butoxy-5-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]methyl]pyridine-2-carboxylate;methyl 5-[[4-amino-2-butoxy-5-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]methyl]pyridine-2-carboxylate?
The InChIKey is YUCWIJBGUUXVGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34BrN5O4Si.C24H35N5O4Si.C23H32BrN5O3Si.C22H32ClN5O3Si.C22H32ClN5O2Si.C16H27BrN4O2Si.C6H4ClNO.2CH4/c1-6-7-10-34-24-28-19-17(13-16-8-9-18(27-14-16)23(31)32-2)21(25)30(20(19)22(26)29-24)15-33-11-12-35(3,4)5;1-6-7-10-33-24-27-20-18(13-17-8-9-19(26-14-17)23(30)31-2)15-29(21(20)22(25)28-24)16-32-11-12-34(3,4)5;1-5-6-9-32-23-27-19-18(12-16-7-8-17(14-30)26-13-16)21(24)29(20(19)22(25)28-23)15-31-10-11-33(2,3)4;1-5-6-9-31-22-26-18-16(20(29)15-7-8-17(23)25-12-15)13-28(19(18)21(24)27-22)14-30-10-11-32(2,3)4;1-5-6-9-30-22-26-19-17(12-16-7-8-18(23)25-13-16)14-28(20(19)21(24)27-22)15-29-10-11-31(2,3)4;1-5-6-7-23-16-19-13-12(17)10-21(14(13)15(18)20-16)11-22-8-9-24(2,3)4;7-6-2-1-5(4-9)3-8-6;;/h8-9,14H,6-7,10-13,15H2,1-5H3,(H2,26,28,29);8-9,14-15H,6-7,10-13,16H2,1-5H3,(H2,25,27,28);7-8,13-14H,5-6,9-12,15H2,1-4H3,(H2,25,27,28);7-8,12-13,20,29H,5-6,9-11,14H2,1-4H3,(H2,24,26,27);7-8,13-14H,5-6,9-12,15H2,1-4H3,(H2,24,26,27);10H,5-9,11H2,1-4H3,(H2,18,19,20);1-4H;2*1H4.
What are the key properties of 5-[[4-amino-6-bromo-2-butoxy-5-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]methyl]pyridine-2-carbaldehyde;[4-amino-2-butoxy-5-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]-(6-chloro-3-pyridinyl)methanol;7-bromo-2-butoxy-5-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-d]pyrimidin-4-amine;2-butoxy-7-[(6-chloro-3-pyridinyl)methyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-d]pyrimidin-4-amine;6-chloropyridine-3-carbaldehyde;methane;methyl 5-[[4-amino-6-bromo-2-butoxy-5-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]methyl]pyridine-2-carboxylate;methyl 5-[[4-amino-2-butoxy-5-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]methyl]pyridine-2-carboxylate?
5-[[4-amino-6-bromo-2-butoxy-5-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]methyl]pyridine-2-carbaldehyde;[4-amino-2-butoxy-5-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]-(6-chloro-3-pyridinyl)methanol;7-bromo-2-butoxy-5-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-d]pyrimidin-4-amine;2-butoxy-7-[(6-chloro-3-pyridinyl)methyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-d]pyrimidin-4-amine;6-chloropyridine-3-carbaldehyde;methane;methyl 5-[[4-amino-6-bromo-2-butoxy-5-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]methyl]pyridine-2-carboxylate;methyl 5-[[4-amino-2-butoxy-5-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]methyl]pyridine-2-carboxylate has a molecular weight of 3113.94 g/mol, XLogP of 31.25, 68 rotatable bonds, 7 hydrogen bond donors, and 49 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-amino-6-bromo-2-butoxy-5-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]methyl]pyridine-2-carbaldehyde;[4-amino-2-butoxy-5-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]-(6-chloro-3-pyridinyl)methanol;7-bromo-2-butoxy-5-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-d]pyrimidin-4-amine;2-butoxy-7-[(6-chloro-3-pyridinyl)methyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-d]pyrimidin-4-amine;6-chloropyridine-3-carbaldehyde;methane;methyl 5-[[4-amino-6-bromo-2-butoxy-5-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]methyl]pyridine-2-carboxylate;methyl 5-[[4-amino-2-butoxy-5-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]methyl]pyridine-2-carboxylate is sourced from PubChem (CID 162016083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).