2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-phenylthiophen-2-yl)acetamide;4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-thiophen-2-ylphenyl)butanamide;4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-thiophen-3-ylphenyl)butanamide;1,3-dimethyl-7-[4-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-oxobutyl]purine-2,6-dione;1,3-dimethyl-7-[3-oxo-4-(4-thiophen-3-ylphenyl)butyl]purine-2,6-dione

C103H100N24O15S5 — CID 158203229

IUPAC2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-phenylthiophen-2-yl)acetamide;4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-thiophen-2-ylphenyl)butanamide;4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-thiophen-3-ylphenyl)butanamide;1,3-dimethyl-7-[4-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-oxobutyl]purine-2,6-dione;1,3-dimethyl-7-[3-oxo-4-(4-thiophen-3-ylphenyl)butyl]purine-2,6-dione
SMILESCc1nc(-c2ccc(CC(=O)CCn3cnc4c3c(=O)n(C)c(=O)n4C)cc2)cs1.Cn1c(=O)c2c(ncn2CC(=O)Nc2cc(-c3ccccc3)cs2)n(C)c1=O.Cn1c(=O)c2c(ncn2CCC(=O)Cc2ccc(-c3ccsc3)cc2)n(C)c1=O.Cn1c(=O)c2c(ncn2CCCC(=O)Nc2ccc(-c3cccs3)cc2)n(C)c1=O.Cn1c(=O)c2c(ncn2CCCC(=O)Nc2ccc(-c3ccsc3)cc2)n(C)c1=O
InChIInChI=1S/3C21H21N5O3S.C21H20N4O3S.C19H17N5O3S/c1-13-23-17(11-30-13)15-6-4-14(5-7-15)10-16(27)8-9-26-12-22-19-18(26)20(28)25(3)21(29)24(19)2;1-24-19-18(20(28)25(2)21(24)29)26(13-22-19)11-3-6-17(27)23-15-9-7-14(8-10-15)16-5-4-12-30-16;1-24-19-18(20(28)25(2)21(24)29)26(13-22-19)10-3-4-17(27)23-16-7-5-14(6-8-16)15-9-11-30-12-15;1-23-19-18(20(27)24(2)21(23)28)25(13-22-19)9-7-17(26)11-14-3-5-15(6-4-14)16-8-10-29-12-16;1-22-17-16(18(26)23(2)19(22)27)24(11-20-17)9-14(25)21-15-8-13(10-28-15)12-6-4-3-5-7-12/h4-7,11-12H,8-10H2,1-3H3;4-5,7-10,12-13H,3,6,11H2,1-2H3,(H,23,27);5-9,11-13H,3-4,10H2,1-2H3,(H,23,27);3-6,8,10,12-13H,7,9,11H2,1-2H3;3-8,10-11H,9H2,1-2H3,(H,21,25)
InChIKeyGBEOKBXFNBTQFO-UHFFFAOYSA-N
MW2074.42 g/mol
LogP11.39
Rot. Bonds28

About 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-phenylthiophen-2-yl)acetamide;4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-thiophen-2-ylphenyl)butanamide;4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-thiophen-3-ylphenyl)butanamide;1,3-dimethyl-7-[4-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-oxobutyl]purine-2,6-dione;1,3-dimethyl-7-[3-oxo-4-(4-thiophen-3-ylphenyl)butyl]purine-2,6-dione

2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-phenylthiophen-2-yl)acetamide;4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-thiophen-2-ylphenyl)butanamide;4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-thiophen-3-ylphenyl)butanamide;1,3-dimethyl-7-[4-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-oxobutyl]purine-2,6-dione;1,3-dimethyl-7-[3-oxo-4-(4-thiophen-3-ylphenyl)butyl]purine-2,6-dione (PubChem CID 158203229) has the molecular formula C103H100N24O15S5 and a molecular weight of 2074.42 g/mol. Its IUPAC name is 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-phenylthiophen-2-yl)acetamide;4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-thiophen-2-ylphenyl)butanamide;4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-thiophen-3-ylphenyl)butanamide;1,3-dimethyl-7-[4-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-oxobutyl]purine-2,6-dione;1,3-dimethyl-7-[3-oxo-4-(4-thiophen-3-ylphenyl)butyl]purine-2,6-dione.

Molecular Properties

Compound Name2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-phenylthiophen-2-yl)acetamide;4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-thiophen-2-ylphenyl)butanamide;4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-thiophen-3-ylphenyl)butanamide;1,3-dimethyl-7-[4-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-oxobutyl]purine-2,6-dione;1,3-dimethyl-7-[3-oxo-4-(4-thiophen-3-ylphenyl)butyl]purine-2,6-dione
PubChem CID158203229
Molecular FormulaC103H100N24O15S5
Molecular Weight2074.42 g/mol
Exact Mass2072.64
IUPAC Name2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-phenylthiophen-2-yl)acetamide;4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-thiophen-2-ylphenyl)butanamide;4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-thiophen-3-ylphenyl)butanamide;1,3-dimethyl-7-[4-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-oxobutyl]purine-2,6-dione;1,3-dimethyl-7-[3-oxo-4-(4-thiophen-3-ylphenyl)butyl]purine-2,6-dione
SMILESCc1nc(-c2ccc(CC(=O)CCn3cnc4c3c(=O)n(C)c(=O)n4C)cc2)cs1.Cn1c(=O)c2c(ncn2CC(=O)Nc2cc(-c3ccccc3)cs2)n(C)c1=O.Cn1c(=O)c2c(ncn2CCC(=O)Cc2ccc(-c3ccsc3)cc2)n(C)c1=O.Cn1c(=O)c2c(ncn2CCCC(=O)Nc2ccc(-c3cccs3)cc2)n(C)c1=O.Cn1c(=O)c2c(ncn2CCCC(=O)Nc2ccc(-c3ccsc3)cc2)n(C)c1=O
InChIInChI=1S/3C21H21N5O3S.C21H20N4O3S.C19H17N5O3S/c1-13-23-17(11-30-13)15-6-4-14(5-7-15)10-16(27)8-9-26-12-22-19-18(26)20(28)25(3)21(29)24(19)2;1-24-19-18(20(28)25(2)21(24)29)26(13-22-19)11-3-6-17(27)23-15-9-7-14(8-10-15)16-5-4-12-30-16;1-24-19-18(20(28)25(2)21(24)29)26(13-22-19)10-3-4-17(27)23-16-7-5-14(6-8-16)15-9-11-30-12-15;1-23-19-18(20(27)24(2)21(23)28)25(13-22-19)9-7-17(26)11-14-3-5-15(6-4-14)16-8-10-29-12-16;1-22-17-16(18(26)23(2)19(22)27)24(11-20-17)9-14(25)21-15-8-13(10-28-15)12-6-4-3-5-7-12/h4-7,11-12H,8-10H2,1-3H3;4-5,7-10,12-13H,3,6,11H2,1-2H3,(H,23,27);5-9,11-13H,3-4,10H2,1-2H3,(H,23,27);3-6,8,10,12-13H,7,9,11H2,1-2H3;3-8,10-11H,9H2,1-2H3,(H,21,25)
InChIKeyGBEOKBXFNBTQFO-UHFFFAOYSA-N
XLogP11.39
TPSA443.43 Ų
H-Bond Donors3
H-Bond Acceptors41
Rotatable Bonds28
Heavy Atoms147
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002074.42
LogP ≤ 511.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1041

Analyze 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-phenylthiophen-2-yl)acetamide;4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-thiophen-2-ylphenyl)butanamide;4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-thiophen-3-ylphenyl)butanamide;1,3-dimethyl-7-[4-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-oxobutyl]purine-2,6-dione;1,3-dimethyl-7-[3-oxo-4-(4-thiophen-3-ylphenyl)butyl]purine-2,6-dione with MolForge

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Related Compounds

2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[5-[4-[3-fluoro-4-[[3-methyl-2,6-dioxo-7-[2-oxo-2-[[5-[4-(thiophene-2-carbonyl)piperazin-1-yl]-2-pyridinyl]amino]ethyl]purin-1-yl]methyl]benzoyl]piperazin-1-yl]-2-pyridinyl]acetamide
CID 142385461
2-(1,3-diethyl-2,6-dioxopurin-7-yl)-N-(4-thiophen-3-ylphenyl)acetamide;2-[8-(dimethylamino)-1,3-dimethyl-2,6-dioxopurin-7-yl]-N-(4-thiophen-3-ylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxo-8-phenylpurin-7-yl)-N-(4-thiophen-3-ylphenyl)acetamide;2-[1,3-dimethyl-2,6-dioxo-8-(trifluoromethyl)purin-7-yl]-N-(4-thiophen-3-ylphenyl)acetamide;2-(1,3-dimethyl-8-morpholin-4-yl-2,6-dioxopurin-7-yl)-N-(4-thiophen-3-ylphenyl)acetamide;2-(2,6-dioxo-3H-purin-7-yl)-N-(4-thiophen-3-ylphenyl)acetamide
CID 158559913
2-(8-cyclopropyl-1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-thiophen-3-ylphenyl)acetamide;2-(1,3-diethyl-2,6-dioxopurin-7-yl)-N-(4-thiophen-3-ylphenyl)acetamide;2-[8-(dimethylamino)-1,3-dimethyl-2,6-dioxopurin-7-yl]-N-(4-thiophen-3-ylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxo-8-phenylpurin-7-yl)-N-(4-thiophen-3-ylphenyl)acetamide;2-[1,3-dimethyl-2,6-dioxo-8-(trifluoromethyl)purin-7-yl]-N-(4-thiophen-3-ylphenyl)acetamide;2-(2,6-dioxo-3H-purin-7-yl)-N-(4-thiophen-3-ylphenyl)acetamide;N-[4-(1,3-thiazol-2-yl)phenyl]-2-(1,3,8-trimethyl-2,6-dioxopurin-7-yl)propanamide
CID 158591116
N-cyclooctyl-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[[3-(1,1-difluoroethyl)phenyl]methyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-(2,3-difluoro-4-methylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-fluoro-5-methylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methylcyclohexyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]acetamide
CID 159999777
2-(1,3-diethyl-2,6-dioxopurin-7-yl)-N-(4-thiophen-3-ylphenyl)acetamide;2-[8-(dimethylamino)-1,3-dimethyl-2,6-dioxopurin-7-yl]-N-(4-thiophen-3-ylphenyl)acetamide;2-[1,3-dimethyl-2,6-dioxo-8-(trifluoromethyl)purin-7-yl]-N-(4-thiophen-3-ylphenyl)acetamide;2-(1,3-dimethyl-8-morpholin-4-yl-2,6-dioxopurin-7-yl)-N-(4-thiophen-3-ylphenyl)acetamide;2-(2,6-dioxo-3H-purin-7-yl)-N-(4-thiophen-3-ylphenyl)acetamide
CID 160273070
2-(8-cyclopropyl-1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-thiophen-3-ylphenyl)acetamide;2-(1,3-diethyl-2,6-dioxopurin-7-yl)-N-(4-thiophen-3-ylphenyl)acetamide;2-[8-(dimethylamino)-1,3-dimethyl-2,6-dioxopurin-7-yl]-N-(4-thiophen-3-ylphenyl)acetamide;2-[1,3-dimethyl-2,6-dioxo-8-(trifluoromethyl)purin-7-yl]-N-(4-thiophen-3-ylphenyl)acetamide;1,3-dimethyl-8-phenyl-7-[2-(4-thiophen-3-ylanilino)ethyl]purine-2,6-dione;2-(2,6-dioxo-3H-purin-7-yl)-N-(4-thiophen-3-ylphenyl)acetamide;N-[4-(1,3-thiazol-2-yl)phenyl]-2-(1,3,8-trimethyl-2,6-dioxopurin-7-yl)propanamide
CID 160386005
8-[(2-Chloroimidazo[2,1-b][1,3]thiazol-6-yl)methyl]-7-[[4-(3,3-difluoroazetidin-1-yl)phenyl]methyl]-3-ethylpurine-2,6-dione;3-ethyl-7-[(4-imidazol-1-ylphenyl)methyl]-8-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)purine-2,6-dione;3-ethyl-7-[[4-(2-oxopropyl)phenyl]methyl]-8-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)purine-2,6-dione;3-ethyl-7-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-8-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)purine-2,6-dione
CID 161247676
4-[6-amino-9-[3-[[(E)-4-(dimethylamino)but-2-enoyl]-methylamino]phenyl]-8-oxopurin-7-yl]-N-pyridin-2-ylbenzamide;4-[6-amino-9-[3-[methyl(prop-2-enoyl)amino]phenyl]-8-oxopurin-7-yl]-N-pyridin-2-ylbenzamide;(E)-N-[3-[6-amino-8-oxo-7-[4-[2-(1,3-thiazol-2-yl)acetyl]phenyl]purin-9-yl]phenyl]-4-(dimethylamino)-N-methylbut-2-enamide;(E)-N-[3-[6-amino-8-oxo-7-[4-[2-[4-(trifluoromethyl)-2-pyridinyl]acetyl]phenyl]purin-9-yl]phenyl]-4-(dimethylamino)-N-methylbut-2-enamide
CID 161734112
2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[5-[4-[(1R,4R)-5-[[6-(2,4-dioxo-1,3-diazinan-1-yl)-3-pyridinyl]methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]-7-fluoro-3-oxo-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 172318566
2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[5-[4-[(1S,4S)-5-[[6-(2,4-dioxo-1,3-diazinan-1-yl)-3-pyridinyl]methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]-7-fluoro-3-oxo-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 172318745
N-(6-butyl-1,3-benzothiazol-2-yl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[2-(4-methylphenyl)ethyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(N-propan-2-ylanilino)phenyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 123398135
3-[[2-[3-[3-[5-[[2-[[3-[1,2-dimethyl-5-[(2-methyl-4-phenyl-1,3-thiazol-5-yl)carbamoylamino]imidazol-4-yl]phenyl]methyl]-4-phenyl-1,3-thiazol-5-yl]carbamoylamino]-1-methylimidazol-4-yl]phenyl]phenyl]imidazo[1,2-a]pyridin-3-yl]carbamoylamino]-N-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 123445523

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-phenylthiophen-2-yl)acetamide;4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-thiophen-2-ylphenyl)butanamide;4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-thiophen-3-ylphenyl)butanamide;1,3-dimethyl-7-[4-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-oxobutyl]purine-2,6-dione;1,3-dimethyl-7-[3-oxo-4-(4-thiophen-3-ylphenyl)butyl]purine-2,6-dione?
The IUPAC name of 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-phenylthiophen-2-yl)acetamide;4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-thiophen-2-ylphenyl)butanamide;4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-thiophen-3-ylphenyl)butanamide;1,3-dimethyl-7-[4-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-oxobutyl]purine-2,6-dione;1,3-dimethyl-7-[3-oxo-4-(4-thiophen-3-ylphenyl)butyl]purine-2,6-dione (CID 158203229) is 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-phenylthiophen-2-yl)acetamide;4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-thiophen-2-ylphenyl)butanamide;4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-thiophen-3-ylphenyl)butanamide;1,3-dimethyl-7-[4-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-oxobutyl]purine-2,6-dione;1,3-dimethyl-7-[3-oxo-4-(4-thiophen-3-ylphenyl)butyl]purine-2,6-dione.
What is the SMILES notation for 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-phenylthiophen-2-yl)acetamide;4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-thiophen-2-ylphenyl)butanamide;4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-thiophen-3-ylphenyl)butanamide;1,3-dimethyl-7-[4-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-oxobutyl]purine-2,6-dione;1,3-dimethyl-7-[3-oxo-4-(4-thiophen-3-ylphenyl)butyl]purine-2,6-dione?
The canonical SMILES for 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-phenylthiophen-2-yl)acetamide;4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-thiophen-2-ylphenyl)butanamide;4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-thiophen-3-ylphenyl)butanamide;1,3-dimethyl-7-[4-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-oxobutyl]purine-2,6-dione;1,3-dimethyl-7-[3-oxo-4-(4-thiophen-3-ylphenyl)butyl]purine-2,6-dione is Cc1nc(-c2ccc(CC(=O)CCn3cnc4c3c(=O)n(C)c(=O)n4C)cc2)cs1.Cn1c(=O)c2c(ncn2CC(=O)Nc2cc(-c3ccccc3)cs2)n(C)c1=O.Cn1c(=O)c2c(ncn2CCC(=O)Cc2ccc(-c3ccsc3)cc2)n(C)c1=O.Cn1c(=O)c2c(ncn2CCCC(=O)Nc2ccc(-c3cccs3)cc2)n(C)c1=O.Cn1c(=O)c2c(ncn2CCCC(=O)Nc2ccc(-c3ccsc3)cc2)n(C)c1=O.
What is the InChIKey of 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-phenylthiophen-2-yl)acetamide;4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-thiophen-2-ylphenyl)butanamide;4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-thiophen-3-ylphenyl)butanamide;1,3-dimethyl-7-[4-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-oxobutyl]purine-2,6-dione;1,3-dimethyl-7-[3-oxo-4-(4-thiophen-3-ylphenyl)butyl]purine-2,6-dione?
The InChIKey is GBEOKBXFNBTQFO-UHFFFAOYSA-N. The full InChI is InChI=1S/3C21H21N5O3S.C21H20N4O3S.C19H17N5O3S/c1-13-23-17(11-30-13)15-6-4-14(5-7-15)10-16(27)8-9-26-12-22-19-18(26)20(28)25(3)21(29)24(19)2;1-24-19-18(20(28)25(2)21(24)29)26(13-22-19)11-3-6-17(27)23-15-9-7-14(8-10-15)16-5-4-12-30-16;1-24-19-18(20(28)25(2)21(24)29)26(13-22-19)10-3-4-17(27)23-16-7-5-14(6-8-16)15-9-11-30-12-15;1-23-19-18(20(27)24(2)21(23)28)25(13-22-19)9-7-17(26)11-14-3-5-15(6-4-14)16-8-10-29-12-16;1-22-17-16(18(26)23(2)19(22)27)24(11-20-17)9-14(25)21-15-8-13(10-28-15)12-6-4-3-5-7-12/h4-7,11-12H,8-10H2,1-3H3;4-5,7-10,12-13H,3,6,11H2,1-2H3,(H,23,27);5-9,11-13H,3-4,10H2,1-2H3,(H,23,27);3-6,8,10,12-13H,7,9,11H2,1-2H3;3-8,10-11H,9H2,1-2H3,(H,21,25).
What are the key properties of 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-phenylthiophen-2-yl)acetamide;4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-thiophen-2-ylphenyl)butanamide;4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-thiophen-3-ylphenyl)butanamide;1,3-dimethyl-7-[4-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-oxobutyl]purine-2,6-dione;1,3-dimethyl-7-[3-oxo-4-(4-thiophen-3-ylphenyl)butyl]purine-2,6-dione?
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-phenylthiophen-2-yl)acetamide;4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-thiophen-2-ylphenyl)butanamide;4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-thiophen-3-ylphenyl)butanamide;1,3-dimethyl-7-[4-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-oxobutyl]purine-2,6-dione;1,3-dimethyl-7-[3-oxo-4-(4-thiophen-3-ylphenyl)butyl]purine-2,6-dione has a molecular weight of 2074.42 g/mol, XLogP of 11.39, 28 rotatable bonds, 3 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-phenylthiophen-2-yl)acetamide;4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-thiophen-2-ylphenyl)butanamide;4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-thiophen-3-ylphenyl)butanamide;1,3-dimethyl-7-[4-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-oxobutyl]purine-2,6-dione;1,3-dimethyl-7-[3-oxo-4-(4-thiophen-3-ylphenyl)butyl]purine-2,6-dione is sourced from PubChem (CID 158203229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).