N-(2,6-dichlorophenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-fluoro-4-methylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(3-fluoro-4-methylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methoxyphenyl)propanamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-methyl-N-phenylpropanamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-methylphenyl)propanamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-phenylpropanamide

C114H119Cl2F2N35O22 — CID 159818868

IUPACN-(2,6-dichlorophenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-fluoro-4-methylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(3-fluoro-4-methylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methoxyphenyl)propanamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-methyl-N-phenylpropanamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-methylphenyl)propanamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-phenylpropanamide
SMILESCC(C(=O)N(C)c1ccccc1)n1cnc2c1c(=O)n(C)c(=O)n2C.CC(C(=O)Nc1ccccc1)n1cnc2c1c(=O)n(C)c(=O)n2C.COc1ccccc1NC(=O)C(C)n1cnc2c1c(=O)n(C)c(=O)n2C.Cc1ccc(NC(=O)C(C)n2cnc3c2c(=O)n(C)c(=O)n3C)cc1.Cc1ccc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c(F)c1.Cc1ccc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1F.Cn1c(=O)c2c(ncn2CC(=O)Nc2c(Cl)cccc2Cl)n(C)c1=O
InChIInChI=1S/C17H19N5O4.2C17H19N5O3.2C16H16FN5O3.C16H17N5O3.C15H13Cl2N5O3/c1-10(15(23)19-11-7-5-6-8-12(11)26-4)22-9-18-14-13(22)16(24)21(3)17(25)20(14)2;1-10-5-7-12(8-6-10)19-15(23)11(2)22-9-18-14-13(22)16(24)21(4)17(25)20(14)3;1-11(15(23)19(2)12-8-6-5-7-9-12)22-10-18-14-13(22)16(24)21(4)17(25)20(14)3;1-9-4-5-10(6-11(9)17)19-12(23)7-22-8-18-14-13(22)15(24)21(3)16(25)20(14)2;1-9-4-5-11(10(17)6-9)19-12(23)7-22-8-18-14-13(22)15(24)21(3)16(25)20(14)2;1-10(14(22)18-11-7-5-4-6-8-11)21-9-17-13-12(21)15(23)20(3)16(24)19(13)2;1-20-13-12(14(24)21(2)15(20)25)22(7-18-13)6-10(23)19-11-8(16)4-3-5-9(11)17/h5-10H,1-4H3,(H,19,23);5-9,11H,1-4H3,(H,19,23);5-11H,1-4H3;2*4-6,8H,7H2,1-3H3,(H,19,23);4-10H,1-3H3,(H,18,22);3-5,7H,6H2,1-2H3,(H,19,23)
InChIKeyNLYYFXXUJFZEMO-UHFFFAOYSA-N
MW2440.33 g/mol
LogP5.29
Rot. Bonds22

About N-(2,6-dichlorophenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-fluoro-4-methylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(3-fluoro-4-methylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methoxyphenyl)propanamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-methyl-N-phenylpropanamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-methylphenyl)propanamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-phenylpropanamide

N-(2,6-dichlorophenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-fluoro-4-methylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(3-fluoro-4-methylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methoxyphenyl)propanamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-methyl-N-phenylpropanamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-methylphenyl)propanamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-phenylpropanamide (PubChem CID 159818868) has the molecular formula C114H119Cl2F2N35O22 and a molecular weight of 2440.33 g/mol. Its IUPAC name is N-(2,6-dichlorophenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-fluoro-4-methylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(3-fluoro-4-methylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methoxyphenyl)propanamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-methyl-N-phenylpropanamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-methylphenyl)propanamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-phenylpropanamide.

Molecular Properties

Compound NameN-(2,6-dichlorophenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-fluoro-4-methylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(3-fluoro-4-methylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methoxyphenyl)propanamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-methyl-N-phenylpropanamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-methylphenyl)propanamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-phenylpropanamide
PubChem CID159818868
Molecular FormulaC114H119Cl2F2N35O22
Molecular Weight2440.33 g/mol
Exact Mass2437.86
IUPAC NameN-(2,6-dichlorophenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-fluoro-4-methylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(3-fluoro-4-methylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methoxyphenyl)propanamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-methyl-N-phenylpropanamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-methylphenyl)propanamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-phenylpropanamide
SMILESCC(C(=O)N(C)c1ccccc1)n1cnc2c1c(=O)n(C)c(=O)n2C.CC(C(=O)Nc1ccccc1)n1cnc2c1c(=O)n(C)c(=O)n2C.COc1ccccc1NC(=O)C(C)n1cnc2c1c(=O)n(C)c(=O)n2C.Cc1ccc(NC(=O)C(C)n2cnc3c2c(=O)n(C)c(=O)n3C)cc1.Cc1ccc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c(F)c1.Cc1ccc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1F.Cn1c(=O)c2c(ncn2CC(=O)Nc2c(Cl)cccc2Cl)n(C)c1=O
InChIInChI=1S/C17H19N5O4.2C17H19N5O3.2C16H16FN5O3.C16H17N5O3.C15H13Cl2N5O3/c1-10(15(23)19-11-7-5-6-8-12(11)26-4)22-9-18-14-13(22)16(24)21(3)17(25)20(14)2;1-10-5-7-12(8-6-10)19-15(23)11(2)22-9-18-14-13(22)16(24)21(4)17(25)20(14)3;1-11(15(23)19(2)12-8-6-5-7-9-12)22-10-18-14-13(22)16(24)21(4)17(25)20(14)3;1-9-4-5-10(6-11(9)17)19-12(23)7-22-8-18-14-13(22)15(24)21(3)16(25)20(14)2;1-9-4-5-11(10(17)6-9)19-12(23)7-22-8-18-14-13(22)15(24)21(3)16(25)20(14)2;1-10(14(22)18-11-7-5-4-6-8-11)21-9-17-13-12(21)15(23)20(3)16(24)19(13)2;1-20-13-12(14(24)21(2)15(20)25)22(7-18-13)6-10(23)19-11-8(16)4-3-5-9(11)17/h5-10H,1-4H3,(H,19,23);5-9,11H,1-4H3,(H,19,23);5-11H,1-4H3;2*4-6,8H,7H2,1-3H3,(H,19,23);4-10H,1-3H3,(H,18,22);3-5,7H,6H2,1-2H3,(H,19,23)
InChIKeyNLYYFXXUJFZEMO-UHFFFAOYSA-N
XLogP5.29
TPSA636.88 Ų
H-Bond Donors6
H-Bond Acceptors50
Rotatable Bonds22
Heavy Atoms175
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002440.33
LogP ≤ 55.29
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1050

Analyze N-(2,6-dichlorophenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-fluoro-4-methylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(3-fluoro-4-methylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methoxyphenyl)propanamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-methyl-N-phenylpropanamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-methylphenyl)propanamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-phenylpropanamide with MolForge

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Related Compounds

7-(2-Chlorophenyl)-3-methyl-1-phenacyl-8-piperazin-1-ylpurine-2,6-dione;2-[7-(2-methoxyphenyl)-3-methyl-2,6-dioxo-8-piperazin-1-ylpurin-1-yl]acetamide;2-[7-(2-methoxyphenyl)-3-methyl-2,6-dioxo-8-piperazin-1-ylpurin-1-yl]acetonitrile;7-(2-methoxyphenyl)-3-methyl-8-piperazin-1-ylpurine-2,6-dione;tetrakis(2,2,2-trifluoroacetic acid)
CID 157935615
1-[[4-(3-Chloro-5-methylphenyl)piperazin-1-yl]methyl]-3,7-dimethylpurine-2,6-dione;3,7-dimethyl-1-[[4-(4-methylphenyl)piperazin-1-yl]methyl]purine-2,6-dione;1-[[4-(2,4-dimethylphenyl)piperazin-1-yl]methyl]-3,7-dimethylpurine-2,6-dione;1-[[4-(3,4-dimethylphenyl)piperazin-1-yl]methyl]-3,7-dimethylpurine-2,6-dione;3,7-dimethyl-1-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]purine-2,6-dione;1-[[4-(3-ethoxyphenyl)piperazin-1-yl]methyl]-3,7-dimethylpurine-2,6-dione;1-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-3,7-dimethylpurine-2,6-dione
CID 158059386
N-[3-chloro-4-(3,3-difluorobut-1-en-2-yl)phenyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[4-(1,1-difluoroethoxy)phenyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-(3,5-difluoro-4-methylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-methyl-3-(trifluoromethyl)phenyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(1,1,2-trifluoropropoxy)phenyl]acetamide;molecular hydrogen
CID 159756955
N-[3-chloro-4-(3,3-difluorobut-1-en-2-yl)phenyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[4-(1,1-difluoroethoxy)phenyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-methyl-3-(trifluoromethyl)phenyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(1,1,2-trifluoropropoxy)phenyl]acetamide;molecular hydrogen
CID 160010794
7-[[4-(5-Chloro-2-methylphenyl)piperazin-1-yl]methyl]-1,3-dimethylpurine-2,6-dione;7-[[4-(2,4-dimethylphenyl)piperazin-1-yl]methyl]-1,3-dimethylpurine-2,6-dione;7-[[4-(3,4-dimethylphenyl)piperazin-1-yl]methyl]-1,3-dimethylpurine-2,6-dione;1,3-dimethyl-7-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]purine-2,6-dione;1,3-dimethyl-7-[[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]purine-2,6-dione;7-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-1,3-dimethylpurine-2,6-dione;7-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,3-dimethylpurine-2,6-dione
CID 160115409
N-[3-chloro-4-(3,3-difluorobut-1-en-2-yl)phenyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-(3,5-difluoro-4-methylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[4-(1,1-difluoropropoxy)phenyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-methyl-3-(trifluoromethyl)phenyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(1,1,2-trifluoropropoxy)phenyl]acetamide;molecular hydrogen
CID 161702723
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(2-methoxyphenyl)phenyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(2-methylphenyl)phenyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(3-methylphenyl)phenyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(4-methylphenyl)phenyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-[4-(trifluoromethoxy)phenyl]phenyl]acetamide
CID 162179780
N-(3-chloro-4-methylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(4-ethoxyphenoxy)phenyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-ethyl-N-phenylacetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methoxy-5-methylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(3-methylsulfanylphenyl)acetamide
CID 123443738
N-(3-chloro-5-methylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)propanamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methoxyphenyl)propanamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(3-methylphenyl)propanamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-methylphenyl)propanamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-phenylpropanamide
CID 158405370
1-[[4-(2-Chlorophenyl)piperazin-1-yl]methyl]-3,7-dimethylpurine-2,6-dione;1-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-3,7-dimethylpurine-2,6-dione;1-[[4-(3,4-dichlorophenyl)piperazin-1-yl]methyl]-3,7-dimethylpurine-2,6-dione;bis(3,7-dimethyl-1-[[4-(4-methylphenyl)piperazin-1-yl]methyl]purine-2,6-dione);1-[[4-(2,5-dimethylphenyl)piperazin-1-yl]methyl]-3,7-dimethylpurine-2,6-dione;1-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-3,7-dimethylpurine-2,6-dione;1-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-3,7-dimethylpurine-2,6-dione
CID 158946681
N-(5-chloro-2-methylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-fluoro-4-methylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methoxy-5-methylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-methyl-2-pyridinyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(5-methyl-2-pyridinyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-pyridin-2-ylacetamide
CID 159322859
7-Benzyl-3-(3-chlorophenyl)-1-[(4-methylphenyl)methyl]purine-2,6-dione;1-benzyl-3-(2-methylphenyl)-7-[(4-methylphenyl)methyl]purine-2,6-dione;1-benzyl-7-[(4-methylphenyl)methyl]-3-phenylpurine-2,6-dione;3-(4-chlorophenyl)-1-[(4-fluorophenyl)methyl]-7-[(4-methoxyphenyl)methyl]purine-2,6-dione
CID 159859129

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichlorophenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-fluoro-4-methylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(3-fluoro-4-methylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methoxyphenyl)propanamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-methyl-N-phenylpropanamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-methylphenyl)propanamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-phenylpropanamide?
The IUPAC name of N-(2,6-dichlorophenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-fluoro-4-methylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(3-fluoro-4-methylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methoxyphenyl)propanamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-methyl-N-phenylpropanamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-methylphenyl)propanamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-phenylpropanamide (CID 159818868) is N-(2,6-dichlorophenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-fluoro-4-methylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(3-fluoro-4-methylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methoxyphenyl)propanamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-methyl-N-phenylpropanamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-methylphenyl)propanamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-phenylpropanamide.
What is the SMILES notation for N-(2,6-dichlorophenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-fluoro-4-methylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(3-fluoro-4-methylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methoxyphenyl)propanamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-methyl-N-phenylpropanamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-methylphenyl)propanamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-phenylpropanamide?
The canonical SMILES for N-(2,6-dichlorophenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-fluoro-4-methylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(3-fluoro-4-methylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methoxyphenyl)propanamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-methyl-N-phenylpropanamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-methylphenyl)propanamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-phenylpropanamide is CC(C(=O)N(C)c1ccccc1)n1cnc2c1c(=O)n(C)c(=O)n2C.CC(C(=O)Nc1ccccc1)n1cnc2c1c(=O)n(C)c(=O)n2C.COc1ccccc1NC(=O)C(C)n1cnc2c1c(=O)n(C)c(=O)n2C.Cc1ccc(NC(=O)C(C)n2cnc3c2c(=O)n(C)c(=O)n3C)cc1.Cc1ccc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c(F)c1.Cc1ccc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1F.Cn1c(=O)c2c(ncn2CC(=O)Nc2c(Cl)cccc2Cl)n(C)c1=O.
What is the InChIKey of N-(2,6-dichlorophenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-fluoro-4-methylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(3-fluoro-4-methylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methoxyphenyl)propanamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-methyl-N-phenylpropanamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-methylphenyl)propanamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-phenylpropanamide?
The InChIKey is NLYYFXXUJFZEMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O4.2C17H19N5O3.2C16H16FN5O3.C16H17N5O3.C15H13Cl2N5O3/c1-10(15(23)19-11-7-5-6-8-12(11)26-4)22-9-18-14-13(22)16(24)21(3)17(25)20(14)2;1-10-5-7-12(8-6-10)19-15(23)11(2)22-9-18-14-13(22)16(24)21(4)17(25)20(14)3;1-11(15(23)19(2)12-8-6-5-7-9-12)22-10-18-14-13(22)16(24)21(4)17(25)20(14)3;1-9-4-5-10(6-11(9)17)19-12(23)7-22-8-18-14-13(22)15(24)21(3)16(25)20(14)2;1-9-4-5-11(10(17)6-9)19-12(23)7-22-8-18-14-13(22)15(24)21(3)16(25)20(14)2;1-10(14(22)18-11-7-5-4-6-8-11)21-9-17-13-12(21)15(23)20(3)16(24)19(13)2;1-20-13-12(14(24)21(2)15(20)25)22(7-18-13)6-10(23)19-11-8(16)4-3-5-9(11)17/h5-10H,1-4H3,(H,19,23);5-9,11H,1-4H3,(H,19,23);5-11H,1-4H3;2*4-6,8H,7H2,1-3H3,(H,19,23);4-10H,1-3H3,(H,18,22);3-5,7H,6H2,1-2H3,(H,19,23).
What are the key properties of N-(2,6-dichlorophenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-fluoro-4-methylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(3-fluoro-4-methylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methoxyphenyl)propanamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-methyl-N-phenylpropanamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-methylphenyl)propanamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-phenylpropanamide?
N-(2,6-dichlorophenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-fluoro-4-methylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(3-fluoro-4-methylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methoxyphenyl)propanamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-methyl-N-phenylpropanamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-methylphenyl)propanamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-phenylpropanamide has a molecular weight of 2440.33 g/mol, XLogP of 5.29, 22 rotatable bonds, 6 hydrogen bond donors, and 50 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichlorophenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-fluoro-4-methylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(3-fluoro-4-methylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methoxyphenyl)propanamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-methyl-N-phenylpropanamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-methylphenyl)propanamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-phenylpropanamide is sourced from PubChem (CID 159818868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).