7-benzyl-3-methylpurine-2,6-dione;tert-butyl 4-[7-(2-chlorophenyl)-1,3-dimethyl-2,6-dioxopurin-8-yl]piperazine-1-carboxylate;8-chloro-7-(2-chlorophenyl)-1,3-dimethylpurine-2,6-dione;7-(2-chlorophenyl)-1,3-dimethyl-8-piperazin-1-ylpurine-2,6-dione;7-(2-chlorophenyl)-1,3-dimethylpurine-2,6-dione;7-(2-ethenylphenyl)-1,3-dimethyl-8-piperazin-1-ylpurine-2,6-dione;methane;2,2,2-trifluoroacetic acid

C100H106Cl5F3N30O16 — CID 162214696

IUPAC7-benzyl-3-methylpurine-2,6-dione;tert-butyl 4-[7-(2-chlorophenyl)-1,3-dimethyl-2,6-dioxopurin-8-yl]piperazine-1-carboxylate;8-chloro-7-(2-chlorophenyl)-1,3-dimethylpurine-2,6-dione;7-(2-chlorophenyl)-1,3-dimethyl-8-piperazin-1-ylpurine-2,6-dione;7-(2-chlorophenyl)-1,3-dimethylpurine-2,6-dione;7-(2-ethenylphenyl)-1,3-dimethyl-8-piperazin-1-ylpurine-2,6-dione;methane;2,2,2-trifluoroacetic acid
SMILESC.C=Cc1ccccc1-n1c(N2CCNCC2)nc2c1c(=O)n(C)c(=O)n2C.Cn1c(=O)[nH]c(=O)c2c1ncn2Cc1ccccc1.Cn1c(=O)c2c(nc(Cl)n2-c2ccccc2Cl)n(C)c1=O.Cn1c(=O)c2c(nc(N3CCN(C(=O)OC(C)(C)C)CC3)n2-c2ccccc2Cl)n(C)c1=O.Cn1c(=O)c2c(nc(N3CCNCC3)n2-c2ccccc2Cl)n(C)c1=O.Cn1c(=O)c2c(ncn2-c2ccccc2Cl)n(C)c1=O.O=C(O)C(F)(F)F
InChIInChI=1S/C22H27ClN6O4.C19H22N6O2.C17H19ClN6O2.C13H10Cl2N4O2.C13H11ClN4O2.C13H12N4O2.C2HF3O2.CH4/c1-22(2,3)33-21(32)28-12-10-27(11-13-28)19-24-17-16(18(30)26(5)20(31)25(17)4)29(19)15-9-7-6-8-14(15)23;1-4-13-7-5-6-8-14(13)25-15-16(22(2)19(27)23(3)17(15)26)21-18(25)24-11-9-20-10-12-24;1-21-14-13(15(25)22(2)17(21)26)24(12-6-4-3-5-11(12)18)16(20-14)23-9-7-19-8-10-23;1-17-10-9(11(20)18(2)13(17)21)19(12(15)16-10)8-6-4-3-5-7(8)14;1-16-11-10(12(19)17(2)13(16)20)18(7-15-11)9-6-4-3-5-8(9)14;1-16-11-10(12(18)15-13(16)19)17(8-14-11)7-9-5-3-2-4-6-9;3-2(4,5)1(6)7;/h6-9H,10-13H2,1-5H3;4-8,20H,1,9-12H2,2-3H3;3-6,19H,7-10H2,1-2H3;3-6H,1-2H3;3-7H,1-2H3;2-6,8H,7H2,1H3,(H,15,18,19);(H,6,7);1H4
InChIKeyVUUKFYKGDGNPFL-UHFFFAOYSA-N
MW2218.40 g/mol
LogP7.64
Rot. Bonds11

About 7-benzyl-3-methylpurine-2,6-dione;tert-butyl 4-[7-(2-chlorophenyl)-1,3-dimethyl-2,6-dioxopurin-8-yl]piperazine-1-carboxylate;8-chloro-7-(2-chlorophenyl)-1,3-dimethylpurine-2,6-dione;7-(2-chlorophenyl)-1,3-dimethyl-8-piperazin-1-ylpurine-2,6-dione;7-(2-chlorophenyl)-1,3-dimethylpurine-2,6-dione;7-(2-ethenylphenyl)-1,3-dimethyl-8-piperazin-1-ylpurine-2,6-dione;methane;2,2,2-trifluoroacetic acid

7-benzyl-3-methylpurine-2,6-dione;tert-butyl 4-[7-(2-chlorophenyl)-1,3-dimethyl-2,6-dioxopurin-8-yl]piperazine-1-carboxylate;8-chloro-7-(2-chlorophenyl)-1,3-dimethylpurine-2,6-dione;7-(2-chlorophenyl)-1,3-dimethyl-8-piperazin-1-ylpurine-2,6-dione;7-(2-chlorophenyl)-1,3-dimethylpurine-2,6-dione;7-(2-ethenylphenyl)-1,3-dimethyl-8-piperazin-1-ylpurine-2,6-dione;methane;2,2,2-trifluoroacetic acid (PubChem CID 162214696) has the molecular formula C100H106Cl5F3N30O16 and a molecular weight of 2218.40 g/mol. Its IUPAC name is 7-benzyl-3-methylpurine-2,6-dione;tert-butyl 4-[7-(2-chlorophenyl)-1,3-dimethyl-2,6-dioxopurin-8-yl]piperazine-1-carboxylate;8-chloro-7-(2-chlorophenyl)-1,3-dimethylpurine-2,6-dione;7-(2-chlorophenyl)-1,3-dimethyl-8-piperazin-1-ylpurine-2,6-dione;7-(2-chlorophenyl)-1,3-dimethylpurine-2,6-dione;7-(2-ethenylphenyl)-1,3-dimethyl-8-piperazin-1-ylpurine-2,6-dione;methane;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name7-benzyl-3-methylpurine-2,6-dione;tert-butyl 4-[7-(2-chlorophenyl)-1,3-dimethyl-2,6-dioxopurin-8-yl]piperazine-1-carboxylate;8-chloro-7-(2-chlorophenyl)-1,3-dimethylpurine-2,6-dione;7-(2-chlorophenyl)-1,3-dimethyl-8-piperazin-1-ylpurine-2,6-dione;7-(2-chlorophenyl)-1,3-dimethylpurine-2,6-dione;7-(2-ethenylphenyl)-1,3-dimethyl-8-piperazin-1-ylpurine-2,6-dione;methane;2,2,2-trifluoroacetic acid
PubChem CID162214696
Molecular FormulaC100H106Cl5F3N30O16
Molecular Weight2218.40 g/mol
Exact Mass2214.68
IUPAC Name7-benzyl-3-methylpurine-2,6-dione;tert-butyl 4-[7-(2-chlorophenyl)-1,3-dimethyl-2,6-dioxopurin-8-yl]piperazine-1-carboxylate;8-chloro-7-(2-chlorophenyl)-1,3-dimethylpurine-2,6-dione;7-(2-chlorophenyl)-1,3-dimethyl-8-piperazin-1-ylpurine-2,6-dione;7-(2-chlorophenyl)-1,3-dimethylpurine-2,6-dione;7-(2-ethenylphenyl)-1,3-dimethyl-8-piperazin-1-ylpurine-2,6-dione;methane;2,2,2-trifluoroacetic acid
SMILESC.C=Cc1ccccc1-n1c(N2CCNCC2)nc2c1c(=O)n(C)c(=O)n2C.Cn1c(=O)[nH]c(=O)c2c1ncn2Cc1ccccc1.Cn1c(=O)c2c(nc(Cl)n2-c2ccccc2Cl)n(C)c1=O.Cn1c(=O)c2c(nc(N3CCN(C(=O)OC(C)(C)C)CC3)n2-c2ccccc2Cl)n(C)c1=O.Cn1c(=O)c2c(nc(N3CCNCC3)n2-c2ccccc2Cl)n(C)c1=O.Cn1c(=O)c2c(ncn2-c2ccccc2Cl)n(C)c1=O.O=C(O)C(F)(F)F
InChIInChI=1S/C22H27ClN6O4.C19H22N6O2.C17H19ClN6O2.C13H10Cl2N4O2.C13H11ClN4O2.C13H12N4O2.C2HF3O2.CH4/c1-22(2,3)33-21(32)28-12-10-27(11-13-28)19-24-17-16(18(30)26(5)20(31)25(17)4)29(19)15-9-7-6-8-14(15)23;1-4-13-7-5-6-8-14(13)25-15-16(22(2)19(27)23(3)17(15)26)21-18(25)24-11-9-20-10-12-24;1-21-14-13(15(25)22(2)17(21)26)24(12-6-4-3-5-11(12)18)16(20-14)23-9-7-19-8-10-23;1-17-10-9(11(20)18(2)13(17)21)19(12(15)16-10)8-6-4-3-5-7(8)14;1-16-11-10(12(19)17(2)13(16)20)18(7-15-11)9-6-4-3-5-8(9)14;1-16-11-10(12(18)15-13(16)19)17(8-14-11)7-9-5-3-2-4-6-9;3-2(4,5)1(6)7;/h6-9H,10-13H2,1-5H3;4-8,20H,1,9-12H2,2-3H3;3-6,19H,7-10H2,1-2H3;3-6H,1-2H3;3-7H,1-2H3;2-6,8H,7H2,1H3,(H,15,18,19);(H,6,7);1H4
InChIKeyVUUKFYKGDGNPFL-UHFFFAOYSA-N
XLogP7.64
TPSA482.40 Ų
H-Bond Donors4
H-Bond Acceptors43
Rotatable Bonds11
Heavy Atoms154
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002218.40
LogP ≤ 57.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1043

Analyze 7-benzyl-3-methylpurine-2,6-dione;tert-butyl 4-[7-(2-chlorophenyl)-1,3-dimethyl-2,6-dioxopurin-8-yl]piperazine-1-carboxylate;8-chloro-7-(2-chlorophenyl)-1,3-dimethylpurine-2,6-dione;7-(2-chlorophenyl)-1,3-dimethyl-8-piperazin-1-ylpurine-2,6-dione;7-(2-chlorophenyl)-1,3-dimethylpurine-2,6-dione;7-(2-ethenylphenyl)-1,3-dimethyl-8-piperazin-1-ylpurine-2,6-dione;methane;2,2,2-trifluoroacetic acid with MolForge

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Related Compounds

[7-benzyl-2,6-dioxo-1-(2-phenylethyl)purin-3-yl]methyl 2,2-dimethylpropanoate;tert-butyl 4-[7-but-2-ynyl-2-chloro-6-oxo-1-(2-phenylethyl)purin-8-yl]piperazine-1-carboxylate;tert-butyl 4-[7-but-2-ynyl-2,6-dioxo-1-(2-phenylethyl)-3H-purin-8-yl]piperazine-1-carboxylate;[7-but-2-ynyl-8-chloro-2,6-dioxo-1-(2-phenylethyl)purin-3-yl]methyl 2,2-dimethylpropanoate;7-but-2-ynyl-2-methoxy-1-(2-phenylethyl)-8-piperidin-1-ylpurin-6-one;7-but-2-ynyl-1-methyl-8-piperidin-1-ylpurin-6-one;2,2,2-trifluoroacetic acid;hydrochloride
CID 157065058
Tert-butyl 4-[3-(2-amino-2-oxoethyl)-7-(2-chlorophenyl)-1-methyl-2,6-dioxopurin-8-yl]piperazine-1-carboxylate;2-[7-(2-chlorophenyl)-2,6-dioxo-8-piperazin-1-ylpurin-3-yl]acetamide;2-[7-(2-chlorophenyl)-1-methyl-2,6-dioxo-8-piperazin-1-ylpurin-3-yl]acetic acid;2-[7-(2-chlorophenyl)-1-methyl-8-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-2,6-dioxopurin-3-yl]acetic acid;tris(2,2,2-trifluoroacetic acid)
CID 157366697
[7-benzyl-1-(2,2-dimethylpropanoyloxymethyl)-2,6-dioxopurin-3-yl]methyl 2,2-dimethylpropanoate;[7-(2-chlorophenyl)-1-(2,2-dimethylpropanoyloxymethyl)-2,6-dioxopurin-3-yl]methyl 2,2-dimethylpropanoate;2-[7-(2-chlorophenyl)-1-methyl-6-oxo-8-piperazin-1-ylpurin-2-yl]oxyacetic acid;[1-(2,2-dimethylpropanoyloxymethyl)-2,6-dioxo-7H-purin-3-yl]methyl 2,2-dimethylpropanoate;2,2,2-trifluoroacetic acid
CID 157519636
3-benzyl-4-chloro-1H-imidazo[4,5-c]pyridin-2-one;3-benzyl-4-chloro-1-prop-2-enylimidazo[4,5-c]pyridin-2-one;tert-butyl 4-(3-but-2-ynyl-4-chloroimidazo[4,5-c]pyridin-2-yl)piperazine-1-carboxylate;3-but-2-ynyl-5-methyl-2-piperazin-1-ylimidazo[4,5-c]pyridin-4-one;4-chloro-1-prop-2-enyl-3H-imidazo[4,5-c]pyridin-2-one;2-chloro-4-N-prop-2-enylpyridine-3,4-diamine;3-nitro-N-prop-2-enylpyridin-4-amine;2,2,2-trifluoroacetic acid
CID 157950068
tert-butyl 4-[7-(2-chlorophenyl)-1,3-bis(2,2-dimethylpropanoyloxymethyl)-2,6-dioxopurin-8-yl]piperazine-1-carboxylate;tert-butyl 4-[7-(2-chlorophenyl)-1-(2,2-dimethylpropanoyloxymethyl)-2,6-dioxo-3H-purin-8-yl]piperazine-1-carboxylate;(7-but-2-ynyl-1-methyl-2,6-dioxopurin-3-yl)methyl 2,2-dimethylpropanoate;7-but-2-ynyl-1-methyl-3H-purine-2,6-dione;7-(2-chlorophenyl)-2-cyclobutyloxy-8-piperazin-1-yl-1H-purin-6-one;2,2,2-trifluoroacetic acid
CID 158537774
tert-butyl 4-[7-(2-chlorophenyl)-1,3-bis(2,2-dimethylpropanoyloxymethyl)-2,6-dioxopurin-8-yl]piperazine-1-carboxylate;tert-butyl 4-[7-(2-chlorophenyl)-1-(2,2-dimethylpropanoyloxymethyl)-2,6-dioxo-3H-purin-8-yl]piperazine-1-carboxylate;[7-(2-chlorophenyl)-1-(2,2-dimethylpropanoyloxymethyl)-2,6-dioxopurin-3-yl]methyl 2,2-dimethylpropanoate;7-(2-chlorophenyl)-3-ethyl-8-piperazin-1-ylpurine-2,6-dione;2,2,2-trifluoroacetic acid
CID 158784102
(7-benzyl-2,6-dioxopurin-3-yl)methyl 2,2-dimethylpropanoate;(7-benzyl-1-methyl-2,6-dioxopurin-3-yl)methyl 2,2-dimethylpropanoate;2-[7-(2-chlorophenyl)-2,6-dioxo-1-(2-phenylethyl)-8-piperazin-1-ylpurin-3-yl]acetamide;(1-methyl-2,6-dioxo-7H-purin-3-yl)methyl 2,2-dimethylpropanoate;2,2,2-trifluoroacetic acid
CID 158868880
Tert-butyl 4-[7-(2-ethenylphenyl)-3-(2-ethoxy-2-oxoethyl)-2,6-dioxopurin-8-yl]piperazine-1-carboxylate;tert-butyl 4-[7-(2-ethenylphenyl)-3-(2-ethoxy-2-oxoethyl)-1-methyl-2,6-dioxopurin-8-yl]piperazine-1-carboxylate;2-[7-(2-ethenylphenyl)-1-methyl-2,6-dioxo-8-piperazin-1-ylpurin-3-yl]acetic acid;ethyl 2-[7-(2-ethenylphenyl)-1-methyl-2,6-dioxo-8-piperazin-1-ylpurin-3-yl]acetate;bis(2,2,2-trifluoroacetic acid)
CID 158975197
2-[7-(2-Chlorophenyl)-2,6-dioxo-1-(2-phenylethyl)-8-piperazin-1-ylpurin-3-yl]acetic acid;2-[7-(2-chlorophenyl)-2,6-dioxo-8-piperazin-1-ylpurin-3-yl]acetic acid;2-[7-(2-chlorophenyl)-1-methyl-2,6-dioxo-8-piperazin-1-ylpurin-3-yl]acetamide;tris(2,2,2-trifluoroacetic acid)
CID 159168218
[7-Benzyl-2,6-dioxo-1-(2-phenylethyl)purin-3-yl]methyl 2,2-dimethylpropanoate;tert-butyl 4-(7-but-2-ynyl-2-carbamoyl-1-methyl-6-oxopurin-8-yl)piperazine-1-carboxylate;7-but-2-ynyl-1-methyl-6-oxo-8-piperazin-1-ylpurine-2-carboxamide;7-but-2-ynyl-1-methyl-6-oxo-8-piperazin-1-ylpurine-2-carboxylic acid;7-but-2-ynyl-1-methyl-8-piperazin-1-ylpurin-6-one;bis(2,2,2-trifluoroacetic acid)
CID 159371196
[7-benzyl-2,6-dioxo-1-(2-phenylethyl)purin-3-yl]methyl 2,2-dimethylpropanoate;tert-butyl 4-[7-but-2-ynyl-2-chloro-6-oxo-1-(2-phenylethyl)purin-8-yl]piperazine-1-carboxylate;tert-butyl 4-[7-but-2-ynyl-2,6-dioxo-1-(2-phenylethyl)-3H-purin-8-yl]piperazine-1-carboxylate;[7-but-2-ynyl-8-chloro-2,6-dioxo-1-(2-phenylethyl)purin-3-yl]methyl 2,2-dimethylpropanoate;7-but-2-ynyl-2-methoxy-1-(2-phenylethyl)-8-piperazin-1-ylpurin-6-one;7-but-2-ynyl-1-methyl-8-piperazin-1-ylpurin-6-one;2,2,2-trifluoroacetic acid;hydrochloride
CID 160024909
7-benzyl-1-ethyl-8-piperazin-1-ylpurin-6-one;7-benzyl-1-(2-methoxyethyl)-8-piperazin-1-ylpurin-6-one;7-benzyl-1-methyl-8-piperazin-1-ylpurin-6-one;7-benzyl-1H-purin-6-one;tert-butyl 4-(7-benzyl-6-oxo-1H-purin-8-yl)piperazine-1-carboxylate;ethyl 2-(7-benzyl-6-oxo-8-piperazin-1-ylpurin-1-yl)acetate;tetrakis(2,2,2-trifluoroacetic acid)
CID 160155855

Frequently Asked Questions

What is the IUPAC name of 7-benzyl-3-methylpurine-2,6-dione;tert-butyl 4-[7-(2-chlorophenyl)-1,3-dimethyl-2,6-dioxopurin-8-yl]piperazine-1-carboxylate;8-chloro-7-(2-chlorophenyl)-1,3-dimethylpurine-2,6-dione;7-(2-chlorophenyl)-1,3-dimethyl-8-piperazin-1-ylpurine-2,6-dione;7-(2-chlorophenyl)-1,3-dimethylpurine-2,6-dione;7-(2-ethenylphenyl)-1,3-dimethyl-8-piperazin-1-ylpurine-2,6-dione;methane;2,2,2-trifluoroacetic acid?
The IUPAC name of 7-benzyl-3-methylpurine-2,6-dione;tert-butyl 4-[7-(2-chlorophenyl)-1,3-dimethyl-2,6-dioxopurin-8-yl]piperazine-1-carboxylate;8-chloro-7-(2-chlorophenyl)-1,3-dimethylpurine-2,6-dione;7-(2-chlorophenyl)-1,3-dimethyl-8-piperazin-1-ylpurine-2,6-dione;7-(2-chlorophenyl)-1,3-dimethylpurine-2,6-dione;7-(2-ethenylphenyl)-1,3-dimethyl-8-piperazin-1-ylpurine-2,6-dione;methane;2,2,2-trifluoroacetic acid (CID 162214696) is 7-benzyl-3-methylpurine-2,6-dione;tert-butyl 4-[7-(2-chlorophenyl)-1,3-dimethyl-2,6-dioxopurin-8-yl]piperazine-1-carboxylate;8-chloro-7-(2-chlorophenyl)-1,3-dimethylpurine-2,6-dione;7-(2-chlorophenyl)-1,3-dimethyl-8-piperazin-1-ylpurine-2,6-dione;7-(2-chlorophenyl)-1,3-dimethylpurine-2,6-dione;7-(2-ethenylphenyl)-1,3-dimethyl-8-piperazin-1-ylpurine-2,6-dione;methane;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 7-benzyl-3-methylpurine-2,6-dione;tert-butyl 4-[7-(2-chlorophenyl)-1,3-dimethyl-2,6-dioxopurin-8-yl]piperazine-1-carboxylate;8-chloro-7-(2-chlorophenyl)-1,3-dimethylpurine-2,6-dione;7-(2-chlorophenyl)-1,3-dimethyl-8-piperazin-1-ylpurine-2,6-dione;7-(2-chlorophenyl)-1,3-dimethylpurine-2,6-dione;7-(2-ethenylphenyl)-1,3-dimethyl-8-piperazin-1-ylpurine-2,6-dione;methane;2,2,2-trifluoroacetic acid?
The canonical SMILES for 7-benzyl-3-methylpurine-2,6-dione;tert-butyl 4-[7-(2-chlorophenyl)-1,3-dimethyl-2,6-dioxopurin-8-yl]piperazine-1-carboxylate;8-chloro-7-(2-chlorophenyl)-1,3-dimethylpurine-2,6-dione;7-(2-chlorophenyl)-1,3-dimethyl-8-piperazin-1-ylpurine-2,6-dione;7-(2-chlorophenyl)-1,3-dimethylpurine-2,6-dione;7-(2-ethenylphenyl)-1,3-dimethyl-8-piperazin-1-ylpurine-2,6-dione;methane;2,2,2-trifluoroacetic acid is C.C=Cc1ccccc1-n1c(N2CCNCC2)nc2c1c(=O)n(C)c(=O)n2C.Cn1c(=O)[nH]c(=O)c2c1ncn2Cc1ccccc1.Cn1c(=O)c2c(nc(Cl)n2-c2ccccc2Cl)n(C)c1=O.Cn1c(=O)c2c(nc(N3CCN(C(=O)OC(C)(C)C)CC3)n2-c2ccccc2Cl)n(C)c1=O.Cn1c(=O)c2c(nc(N3CCNCC3)n2-c2ccccc2Cl)n(C)c1=O.Cn1c(=O)c2c(ncn2-c2ccccc2Cl)n(C)c1=O.O=C(O)C(F)(F)F.
What is the InChIKey of 7-benzyl-3-methylpurine-2,6-dione;tert-butyl 4-[7-(2-chlorophenyl)-1,3-dimethyl-2,6-dioxopurin-8-yl]piperazine-1-carboxylate;8-chloro-7-(2-chlorophenyl)-1,3-dimethylpurine-2,6-dione;7-(2-chlorophenyl)-1,3-dimethyl-8-piperazin-1-ylpurine-2,6-dione;7-(2-chlorophenyl)-1,3-dimethylpurine-2,6-dione;7-(2-ethenylphenyl)-1,3-dimethyl-8-piperazin-1-ylpurine-2,6-dione;methane;2,2,2-trifluoroacetic acid?
The InChIKey is VUUKFYKGDGNPFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN6O4.C19H22N6O2.C17H19ClN6O2.C13H10Cl2N4O2.C13H11ClN4O2.C13H12N4O2.C2HF3O2.CH4/c1-22(2,3)33-21(32)28-12-10-27(11-13-28)19-24-17-16(18(30)26(5)20(31)25(17)4)29(19)15-9-7-6-8-14(15)23;1-4-13-7-5-6-8-14(13)25-15-16(22(2)19(27)23(3)17(15)26)21-18(25)24-11-9-20-10-12-24;1-21-14-13(15(25)22(2)17(21)26)24(12-6-4-3-5-11(12)18)16(20-14)23-9-7-19-8-10-23;1-17-10-9(11(20)18(2)13(17)21)19(12(15)16-10)8-6-4-3-5-7(8)14;1-16-11-10(12(19)17(2)13(16)20)18(7-15-11)9-6-4-3-5-8(9)14;1-16-11-10(12(18)15-13(16)19)17(8-14-11)7-9-5-3-2-4-6-9;3-2(4,5)1(6)7;/h6-9H,10-13H2,1-5H3;4-8,20H,1,9-12H2,2-3H3;3-6,19H,7-10H2,1-2H3;3-6H,1-2H3;3-7H,1-2H3;2-6,8H,7H2,1H3,(H,15,18,19);(H,6,7);1H4.
What are the key properties of 7-benzyl-3-methylpurine-2,6-dione;tert-butyl 4-[7-(2-chlorophenyl)-1,3-dimethyl-2,6-dioxopurin-8-yl]piperazine-1-carboxylate;8-chloro-7-(2-chlorophenyl)-1,3-dimethylpurine-2,6-dione;7-(2-chlorophenyl)-1,3-dimethyl-8-piperazin-1-ylpurine-2,6-dione;7-(2-chlorophenyl)-1,3-dimethylpurine-2,6-dione;7-(2-ethenylphenyl)-1,3-dimethyl-8-piperazin-1-ylpurine-2,6-dione;methane;2,2,2-trifluoroacetic acid?
7-benzyl-3-methylpurine-2,6-dione;tert-butyl 4-[7-(2-chlorophenyl)-1,3-dimethyl-2,6-dioxopurin-8-yl]piperazine-1-carboxylate;8-chloro-7-(2-chlorophenyl)-1,3-dimethylpurine-2,6-dione;7-(2-chlorophenyl)-1,3-dimethyl-8-piperazin-1-ylpurine-2,6-dione;7-(2-chlorophenyl)-1,3-dimethylpurine-2,6-dione;7-(2-ethenylphenyl)-1,3-dimethyl-8-piperazin-1-ylpurine-2,6-dione;methane;2,2,2-trifluoroacetic acid has a molecular weight of 2218.40 g/mol, XLogP of 7.64, 11 rotatable bonds, 4 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for 7-benzyl-3-methylpurine-2,6-dione;tert-butyl 4-[7-(2-chlorophenyl)-1,3-dimethyl-2,6-dioxopurin-8-yl]piperazine-1-carboxylate;8-chloro-7-(2-chlorophenyl)-1,3-dimethylpurine-2,6-dione;7-(2-chlorophenyl)-1,3-dimethyl-8-piperazin-1-ylpurine-2,6-dione;7-(2-chlorophenyl)-1,3-dimethylpurine-2,6-dione;7-(2-ethenylphenyl)-1,3-dimethyl-8-piperazin-1-ylpurine-2,6-dione;methane;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 162214696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).