6-amino-9-[(3R)-1-[(E)-4-(dimethylamino)but-2-enoyl]pyrrolidin-3-yl]-7-(3-methoxy-4-methylphenyl)purin-8-one;6-amino-7-(3-methoxy-4-methylphenyl)-9-[(3R)-pyrrolidin-3-yl]purin-8-one;tert-butyl (3R)-3-[6-amino-7-(3-methoxy-4-methylphenyl)-8-oxopurin-9-yl]pyrrolidine-1-carboxylate;tert-butyl (3R)-3-(4-amino-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-7-yl)pyrrolidine-1-carboxylate;(E)-4-(dimethylamino)but-2-enoic acid;(3-methoxy-4-methylphenyl)boronic acid

C91H120BN25O17 — CID 158306336

IUPAC6-amino-9-[(3R)-1-[(E)-4-(dimethylamino)but-2-enoyl]pyrrolidin-3-yl]-7-(3-methoxy-4-methylphenyl)purin-8-one;6-amino-7-(3-methoxy-4-methylphenyl)-9-[(3R)-pyrrolidin-3-yl]purin-8-one;tert-butyl (3R)-3-[6-amino-7-(3-methoxy-4-methylphenyl)-8-oxopurin-9-yl]pyrrolidine-1-carboxylate;tert-butyl (3R)-3-(4-amino-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-7-yl)pyrrolidine-1-carboxylate;(E)-4-(dimethylamino)but-2-enoic acid;(3-methoxy-4-methylphenyl)boronic acid
SMILESCC(C)(C)OC(=O)N1CC[C@@H](N2C(=O)Cc3c(N)ncnc32)C1.CN(C)C/C=C/C(=O)O.COc1cc(-n2c(=O)n([C@@H]3CCN(C(=O)/C=C/CN(C)C)C3)c3ncnc(N)c32)ccc1C.COc1cc(-n2c(=O)n([C@@H]3CCN(C(=O)OC(C)(C)C)C3)c3ncnc(N)c32)ccc1C.COc1cc(-n2c(=O)n([C@@H]3CCNC3)c3ncnc(N)c32)ccc1C.COc1cc(B(O)O)ccc1C
InChIInChI=1S/C23H29N7O3.C22H28N6O4.C17H20N6O2.C15H21N5O3.C8H11BO3.C6H11NO2/c1-15-7-8-16(12-18(15)33-4)29-20-21(24)25-14-26-22(20)30(23(29)32)17-9-11-28(13-17)19(31)6-5-10-27(2)3;1-13-6-7-14(10-16(13)31-5)27-17-18(23)24-12-25-19(17)28(20(27)29)15-8-9-26(11-15)21(30)32-22(2,3)4;1-10-3-4-11(7-13(10)25-2)22-14-15(18)20-9-21-16(14)23(17(22)24)12-5-6-19-8-12;1-15(2,3)23-14(22)19-5-4-9(7-19)20-11(21)6-10-12(16)17-8-18-13(10)20;1-6-3-4-7(9(10)11)5-8(6)12-2;1-7(2)5-3-4-6(8)9/h5-8,12,14,17H,9-11,13H2,1-4H3,(H2,24,25,26);6-7,10,12,15H,8-9,11H2,1-5H3,(H2,23,24,25);3-4,7,9,12,19H,5-6,8H2,1-2H3,(H2,18,20,21);8-9H,4-7H2,1-3H3,(H2,16,17,18);3-5,10-11H,1-2H3;3-4H,5H2,1-2H3,(H,8,9)/b6-5+;;;;;4-3+/t17-;15-;12-;9-;;/m1111../s1
InChIKeyGNCWUAZSGAHYIZ-WPBAZTINSA-N
MW1846.93 g/mol
LogP5.88
Rot. Bonds18

About 6-amino-9-[(3R)-1-[(E)-4-(dimethylamino)but-2-enoyl]pyrrolidin-3-yl]-7-(3-methoxy-4-methylphenyl)purin-8-one;6-amino-7-(3-methoxy-4-methylphenyl)-9-[(3R)-pyrrolidin-3-yl]purin-8-one;tert-butyl (3R)-3-[6-amino-7-(3-methoxy-4-methylphenyl)-8-oxopurin-9-yl]pyrrolidine-1-carboxylate;tert-butyl (3R)-3-(4-amino-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-7-yl)pyrrolidine-1-carboxylate;(E)-4-(dimethylamino)but-2-enoic acid;(3-methoxy-4-methylphenyl)boronic acid

6-amino-9-[(3R)-1-[(E)-4-(dimethylamino)but-2-enoyl]pyrrolidin-3-yl]-7-(3-methoxy-4-methylphenyl)purin-8-one;6-amino-7-(3-methoxy-4-methylphenyl)-9-[(3R)-pyrrolidin-3-yl]purin-8-one;tert-butyl (3R)-3-[6-amino-7-(3-methoxy-4-methylphenyl)-8-oxopurin-9-yl]pyrrolidine-1-carboxylate;tert-butyl (3R)-3-(4-amino-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-7-yl)pyrrolidine-1-carboxylate;(E)-4-(dimethylamino)but-2-enoic acid;(3-methoxy-4-methylphenyl)boronic acid (PubChem CID 158306336) has the molecular formula C91H120BN25O17 and a molecular weight of 1846.93 g/mol. Its IUPAC name is 6-amino-9-[(3R)-1-[(E)-4-(dimethylamino)but-2-enoyl]pyrrolidin-3-yl]-7-(3-methoxy-4-methylphenyl)purin-8-one;6-amino-7-(3-methoxy-4-methylphenyl)-9-[(3R)-pyrrolidin-3-yl]purin-8-one;tert-butyl (3R)-3-[6-amino-7-(3-methoxy-4-methylphenyl)-8-oxopurin-9-yl]pyrrolidine-1-carboxylate;tert-butyl (3R)-3-(4-amino-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-7-yl)pyrrolidine-1-carboxylate;(E)-4-(dimethylamino)but-2-enoic acid;(3-methoxy-4-methylphenyl)boronic acid.

Molecular Properties

Compound Name6-amino-9-[(3R)-1-[(E)-4-(dimethylamino)but-2-enoyl]pyrrolidin-3-yl]-7-(3-methoxy-4-methylphenyl)purin-8-one;6-amino-7-(3-methoxy-4-methylphenyl)-9-[(3R)-pyrrolidin-3-yl]purin-8-one;tert-butyl (3R)-3-[6-amino-7-(3-methoxy-4-methylphenyl)-8-oxopurin-9-yl]pyrrolidine-1-carboxylate;tert-butyl (3R)-3-(4-amino-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-7-yl)pyrrolidine-1-carboxylate;(E)-4-(dimethylamino)but-2-enoic acid;(3-methoxy-4-methylphenyl)boronic acid
PubChem CID158306336
Molecular FormulaC91H120BN25O17
Molecular Weight1846.93 g/mol
Exact Mass1845.94
IUPAC Name6-amino-9-[(3R)-1-[(E)-4-(dimethylamino)but-2-enoyl]pyrrolidin-3-yl]-7-(3-methoxy-4-methylphenyl)purin-8-one;6-amino-7-(3-methoxy-4-methylphenyl)-9-[(3R)-pyrrolidin-3-yl]purin-8-one;tert-butyl (3R)-3-[6-amino-7-(3-methoxy-4-methylphenyl)-8-oxopurin-9-yl]pyrrolidine-1-carboxylate;tert-butyl (3R)-3-(4-amino-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-7-yl)pyrrolidine-1-carboxylate;(E)-4-(dimethylamino)but-2-enoic acid;(3-methoxy-4-methylphenyl)boronic acid
SMILESCC(C)(C)OC(=O)N1CC[C@@H](N2C(=O)Cc3c(N)ncnc32)C1.CN(C)C/C=C/C(=O)O.COc1cc(-n2c(=O)n([C@@H]3CCN(C(=O)/C=C/CN(C)C)C3)c3ncnc(N)c32)ccc1C.COc1cc(-n2c(=O)n([C@@H]3CCN(C(=O)OC(C)(C)C)C3)c3ncnc(N)c32)ccc1C.COc1cc(-n2c(=O)n([C@@H]3CCNC3)c3ncnc(N)c32)ccc1C.COc1cc(B(O)O)ccc1C
InChIInChI=1S/C23H29N7O3.C22H28N6O4.C17H20N6O2.C15H21N5O3.C8H11BO3.C6H11NO2/c1-15-7-8-16(12-18(15)33-4)29-20-21(24)25-14-26-22(20)30(23(29)32)17-9-11-28(13-17)19(31)6-5-10-27(2)3;1-13-6-7-14(10-16(13)31-5)27-17-18(23)24-12-25-19(17)28(20(27)29)15-8-9-26(11-15)21(30)32-22(2,3)4;1-10-3-4-11(7-13(10)25-2)22-14-15(18)20-9-21-16(14)23(17(22)24)12-5-6-19-8-12;1-15(2,3)23-14(22)19-5-4-9(7-19)20-11(21)6-10-12(16)17-8-18-13(10)20;1-6-3-4-7(9(10)11)5-8(6)12-2;1-7(2)5-3-4-6(8)9/h5-8,12,14,17H,9-11,13H2,1-4H3,(H2,24,25,26);6-7,10,12,15H,8-9,11H2,1-5H3,(H2,23,24,25);3-4,7,9,12,19H,5-6,8H2,1-2H3,(H2,18,20,21);8-9H,4-7H2,1-3H3,(H2,16,17,18);3-5,10-11H,1-2H3;3-4H,5H2,1-2H3,(H,8,9)/b6-5+;;;;;4-3+/t17-;15-;12-;9-;;/m1111../s1
InChIKeyGNCWUAZSGAHYIZ-WPBAZTINSA-N
XLogP5.88
TPSA520.88 Ų
H-Bond Donors8
H-Bond Acceptors37
Rotatable Bonds18
Heavy Atoms134
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001846.93
LogP ≤ 55.88
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1037

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 6-amino-9-[(3R)-1-[(E)-4-(dimethylamino)but-2-enoyl]pyrrolidin-3-yl]-7-(3-methoxy-4-methylphenyl)purin-8-one;6-amino-7-(3-methoxy-4-methylphenyl)-9-[(3R)-pyrrolidin-3-yl]purin-8-one;tert-butyl (3R)-3-[6-amino-7-(3-methoxy-4-methylphenyl)-8-oxopurin-9-yl]pyrrolidine-1-carboxylate;tert-butyl (3R)-3-(4-amino-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-7-yl)pyrrolidine-1-carboxylate;(E)-4-(dimethylamino)but-2-enoic acid;(3-methoxy-4-methylphenyl)boronic acid with MolForge

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Related Compounds

7-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-(6-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one;7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-3-(6-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one;3-imidazo[1,2-a]pyrimidin-2-yl-7-[(3S)-3-methylpiperazin-1-yl]chromen-2-one;3-imidazo[1,2-a]pyrimidin-2-yl-7-[(3R)-3-methylpiperazin-1-yl]chromen-2-one;3-[7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-7-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]chromen-2-one
CID 159515971
6-amino-9-[4-(methylamino)phenyl]-7-(4-phenoxyphenyl)purin-8-one;(E)-N-[4-[6-amino-8-oxo-7-(4-phenoxyphenyl)purin-9-yl]phenyl]-4-(dimethylamino)-N-methylbut-2-enamide;tert-butyl N-[4-[6-amino-8-oxo-7-(4-phenoxyphenyl)purin-9-yl]phenyl]-N-methylcarbamate;tert-butyl N-[4-(4-amino-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-7-yl)phenyl]-N-methylcarbamate;(E)-4-(dimethylamino)but-2-enoyl chloride;(4-methylphenyl)boronic acid;2,2,2-trifluoroacetaldehyde
CID 159796053
6-amino-7-(3-methoxy-4-methylphenyl)-9-[4-(methylamino)phenyl]purin-8-one;(E)-N-[4-[6-amino-7-(3-methoxy-4-methylphenyl)-8-oxopurin-9-yl]phenyl]-4-(dimethylamino)-N-methylbut-2-enamide;tert-butyl N-[4-[6-amino-7-(3-methoxy-4-methylphenyl)-8-oxopurin-9-yl]phenyl]-N-methylcarbamate;tert-butyl N-[4-(4-amino-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-7-yl)phenyl]-N-methylcarbamate;(E)-4-(dimethylamino)but-2-enoyl chloride;(3-methoxy-4-methylphenyl)boronic acid;2,2,2-trifluoroacetaldehyde
CID 161696989
6-amino-9-[(3R)-1-[(E)-4-[cyclobutyl(methyl)amino]but-2-enoyl]pyrrolidin-3-yl]-7-(4-phenoxyphenyl)purin-8-one;6-amino-9-[(3R)-1-[(E)-4-[cyclopropyl(methyl)amino]but-2-enoyl]pyrrolidin-3-yl]-7-(4-phenoxyphenyl)purin-8-one;(E)-N-[4-[6-amino-7-(3-methoxy-4-methylphenyl)-8-oxopurin-9-yl]phenyl]-4-(dimethylamino)-N-methylbut-2-enamide;N-[4-[6-amino-7-(3-methoxy-4-methylphenyl)-8-oxopurin-9-yl]phenyl]-N-methylprop-2-enamide
CID 157284367
CID 157364276
CID 157364276
CID 157373910
CID 157373910
CID 157408517
CID 157408517
6-amino-9-(3-aminophenyl)-7-(4-phenoxyphenyl)purin-8-one;(E)-N-[3-[6-amino-8-oxo-7-(4-phenoxyphenyl)purin-9-yl]phenyl]-4-(dimethylamino)but-2-enamide;tert-butyl N-[3-[6-amino-8-oxo-7-(4-phenoxyphenyl)purin-9-yl]phenyl]carbamate;tert-butyl N-[3-(4-amino-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-7-yl)phenyl]carbamate;(E)-4-(dimethylamino)but-2-enoyl chloride;(4-methylphenyl)boronic acid
CID 157490710
CID 157705746
CID 157705746
6-amino-9-[3-(2-methoxyethoxy)-5-(methylamino)phenyl]-7-(3-methoxy-4-methylphenyl)purin-8-one;(E)-N-[3-[6-amino-7-(3-methoxy-4-methylphenyl)-8-oxopurin-9-yl]-5-(2-methoxyethoxy)phenyl]-4-(dimethylamino)-N-methylbut-2-enamide;tert-butyl N-[3-[6-amino-7-(3-methoxy-4-methylphenyl)-8-oxopurin-9-yl]-5-(2-methoxyethoxy)phenyl]-N-methylcarbamate;deuterioethane;(E)-4-(dimethylamino)but-2-enoyl chloride
CID 157950844
6-amino-7-(4-chloro-2-fluorophenyl)-9-[1-[(E)-4-(dimethylamino)but-2-enoyl]pyrrolidin-3-yl]purin-8-one;6-amino-7-(4-chlorophenyl)-9-[1-[(E)-4-(dimethylamino)but-2-enoyl]pyrrolidin-3-yl]purin-8-one;6-amino-9-[1-[(E)-4-(dimethylamino)but-2-enoyl]pyrrolidin-3-yl]-7-(3-methoxy-4-methylphenyl)purin-8-one
CID 158089352
CID 158613893
CID 158613893

Frequently Asked Questions

What is the IUPAC name of 6-amino-9-[(3R)-1-[(E)-4-(dimethylamino)but-2-enoyl]pyrrolidin-3-yl]-7-(3-methoxy-4-methylphenyl)purin-8-one;6-amino-7-(3-methoxy-4-methylphenyl)-9-[(3R)-pyrrolidin-3-yl]purin-8-one;tert-butyl (3R)-3-[6-amino-7-(3-methoxy-4-methylphenyl)-8-oxopurin-9-yl]pyrrolidine-1-carboxylate;tert-butyl (3R)-3-(4-amino-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-7-yl)pyrrolidine-1-carboxylate;(E)-4-(dimethylamino)but-2-enoic acid;(3-methoxy-4-methylphenyl)boronic acid?
The IUPAC name of 6-amino-9-[(3R)-1-[(E)-4-(dimethylamino)but-2-enoyl]pyrrolidin-3-yl]-7-(3-methoxy-4-methylphenyl)purin-8-one;6-amino-7-(3-methoxy-4-methylphenyl)-9-[(3R)-pyrrolidin-3-yl]purin-8-one;tert-butyl (3R)-3-[6-amino-7-(3-methoxy-4-methylphenyl)-8-oxopurin-9-yl]pyrrolidine-1-carboxylate;tert-butyl (3R)-3-(4-amino-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-7-yl)pyrrolidine-1-carboxylate;(E)-4-(dimethylamino)but-2-enoic acid;(3-methoxy-4-methylphenyl)boronic acid (CID 158306336) is 6-amino-9-[(3R)-1-[(E)-4-(dimethylamino)but-2-enoyl]pyrrolidin-3-yl]-7-(3-methoxy-4-methylphenyl)purin-8-one;6-amino-7-(3-methoxy-4-methylphenyl)-9-[(3R)-pyrrolidin-3-yl]purin-8-one;tert-butyl (3R)-3-[6-amino-7-(3-methoxy-4-methylphenyl)-8-oxopurin-9-yl]pyrrolidine-1-carboxylate;tert-butyl (3R)-3-(4-amino-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-7-yl)pyrrolidine-1-carboxylate;(E)-4-(dimethylamino)but-2-enoic acid;(3-methoxy-4-methylphenyl)boronic acid.
What is the SMILES notation for 6-amino-9-[(3R)-1-[(E)-4-(dimethylamino)but-2-enoyl]pyrrolidin-3-yl]-7-(3-methoxy-4-methylphenyl)purin-8-one;6-amino-7-(3-methoxy-4-methylphenyl)-9-[(3R)-pyrrolidin-3-yl]purin-8-one;tert-butyl (3R)-3-[6-amino-7-(3-methoxy-4-methylphenyl)-8-oxopurin-9-yl]pyrrolidine-1-carboxylate;tert-butyl (3R)-3-(4-amino-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-7-yl)pyrrolidine-1-carboxylate;(E)-4-(dimethylamino)but-2-enoic acid;(3-methoxy-4-methylphenyl)boronic acid?
The canonical SMILES for 6-amino-9-[(3R)-1-[(E)-4-(dimethylamino)but-2-enoyl]pyrrolidin-3-yl]-7-(3-methoxy-4-methylphenyl)purin-8-one;6-amino-7-(3-methoxy-4-methylphenyl)-9-[(3R)-pyrrolidin-3-yl]purin-8-one;tert-butyl (3R)-3-[6-amino-7-(3-methoxy-4-methylphenyl)-8-oxopurin-9-yl]pyrrolidine-1-carboxylate;tert-butyl (3R)-3-(4-amino-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-7-yl)pyrrolidine-1-carboxylate;(E)-4-(dimethylamino)but-2-enoic acid;(3-methoxy-4-methylphenyl)boronic acid is CC(C)(C)OC(=O)N1CC[C@@H](N2C(=O)Cc3c(N)ncnc32)C1.CN(C)C/C=C/C(=O)O.COc1cc(-n2c(=O)n([C@@H]3CCN(C(=O)/C=C/CN(C)C)C3)c3ncnc(N)c32)ccc1C.COc1cc(-n2c(=O)n([C@@H]3CCN(C(=O)OC(C)(C)C)C3)c3ncnc(N)c32)ccc1C.COc1cc(-n2c(=O)n([C@@H]3CCNC3)c3ncnc(N)c32)ccc1C.COc1cc(B(O)O)ccc1C.
What is the InChIKey of 6-amino-9-[(3R)-1-[(E)-4-(dimethylamino)but-2-enoyl]pyrrolidin-3-yl]-7-(3-methoxy-4-methylphenyl)purin-8-one;6-amino-7-(3-methoxy-4-methylphenyl)-9-[(3R)-pyrrolidin-3-yl]purin-8-one;tert-butyl (3R)-3-[6-amino-7-(3-methoxy-4-methylphenyl)-8-oxopurin-9-yl]pyrrolidine-1-carboxylate;tert-butyl (3R)-3-(4-amino-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-7-yl)pyrrolidine-1-carboxylate;(E)-4-(dimethylamino)but-2-enoic acid;(3-methoxy-4-methylphenyl)boronic acid?
The InChIKey is GNCWUAZSGAHYIZ-WPBAZTINSA-N. The full InChI is InChI=1S/C23H29N7O3.C22H28N6O4.C17H20N6O2.C15H21N5O3.C8H11BO3.C6H11NO2/c1-15-7-8-16(12-18(15)33-4)29-20-21(24)25-14-26-22(20)30(23(29)32)17-9-11-28(13-17)19(31)6-5-10-27(2)3;1-13-6-7-14(10-16(13)31-5)27-17-18(23)24-12-25-19(17)28(20(27)29)15-8-9-26(11-15)21(30)32-22(2,3)4;1-10-3-4-11(7-13(10)25-2)22-14-15(18)20-9-21-16(14)23(17(22)24)12-5-6-19-8-12;1-15(2,3)23-14(22)19-5-4-9(7-19)20-11(21)6-10-12(16)17-8-18-13(10)20;1-6-3-4-7(9(10)11)5-8(6)12-2;1-7(2)5-3-4-6(8)9/h5-8,12,14,17H,9-11,13H2,1-4H3,(H2,24,25,26);6-7,10,12,15H,8-9,11H2,1-5H3,(H2,23,24,25);3-4,7,9,12,19H,5-6,8H2,1-2H3,(H2,18,20,21);8-9H,4-7H2,1-3H3,(H2,16,17,18);3-5,10-11H,1-2H3;3-4H,5H2,1-2H3,(H,8,9)/b6-5+;;;;;4-3+/t17-;15-;12-;9-;;/m1111../s1.
What are the key properties of 6-amino-9-[(3R)-1-[(E)-4-(dimethylamino)but-2-enoyl]pyrrolidin-3-yl]-7-(3-methoxy-4-methylphenyl)purin-8-one;6-amino-7-(3-methoxy-4-methylphenyl)-9-[(3R)-pyrrolidin-3-yl]purin-8-one;tert-butyl (3R)-3-[6-amino-7-(3-methoxy-4-methylphenyl)-8-oxopurin-9-yl]pyrrolidine-1-carboxylate;tert-butyl (3R)-3-(4-amino-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-7-yl)pyrrolidine-1-carboxylate;(E)-4-(dimethylamino)but-2-enoic acid;(3-methoxy-4-methylphenyl)boronic acid?
6-amino-9-[(3R)-1-[(E)-4-(dimethylamino)but-2-enoyl]pyrrolidin-3-yl]-7-(3-methoxy-4-methylphenyl)purin-8-one;6-amino-7-(3-methoxy-4-methylphenyl)-9-[(3R)-pyrrolidin-3-yl]purin-8-one;tert-butyl (3R)-3-[6-amino-7-(3-methoxy-4-methylphenyl)-8-oxopurin-9-yl]pyrrolidine-1-carboxylate;tert-butyl (3R)-3-(4-amino-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-7-yl)pyrrolidine-1-carboxylate;(E)-4-(dimethylamino)but-2-enoic acid;(3-methoxy-4-methylphenyl)boronic acid has a molecular weight of 1846.93 g/mol, XLogP of 5.88, 18 rotatable bonds, 8 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-9-[(3R)-1-[(E)-4-(dimethylamino)but-2-enoyl]pyrrolidin-3-yl]-7-(3-methoxy-4-methylphenyl)purin-8-one;6-amino-7-(3-methoxy-4-methylphenyl)-9-[(3R)-pyrrolidin-3-yl]purin-8-one;tert-butyl (3R)-3-[6-amino-7-(3-methoxy-4-methylphenyl)-8-oxopurin-9-yl]pyrrolidine-1-carboxylate;tert-butyl (3R)-3-(4-amino-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-7-yl)pyrrolidine-1-carboxylate;(E)-4-(dimethylamino)but-2-enoic acid;(3-methoxy-4-methylphenyl)boronic acid is sourced from PubChem (CID 158306336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).