7-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1,3-dimethylpurine-2,6-dione;7-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-1,3-dimethylpurine-2,6-dione;7-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-1,3-dimethylpurine-2,6-dione;7-[[4-(3,4-dichlorophenyl)piperazin-1-yl]methyl]-1,3-dimethylpurine-2,6-dione;7-[[4-(2,5-dimethylphenyl)piperazin-1-yl]methyl]-1,3-dimethylpurine-2,6-dione;7-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-1,3-dimethylpurine-2,6-dione;7-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-1,3-dimethylpurine-2,6-dione

C130H157Cl5N42O16 — CID 161380289

IUPAC7-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1,3-dimethylpurine-2,6-dione;7-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-1,3-dimethylpurine-2,6-dione;7-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-1,3-dimethylpurine-2,6-dione;7-[[4-(3,4-dichlorophenyl)piperazin-1-yl]methyl]-1,3-dimethylpurine-2,6-dione;7-[[4-(2,5-dimethylphenyl)piperazin-1-yl]methyl]-1,3-dimethylpurine-2,6-dione;7-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-1,3-dimethylpurine-2,6-dione;7-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-1,3-dimethylpurine-2,6-dione
SMILESCOc1ccc(N2CCN(Cn3cnc4c3c(=O)n(C)c(=O)n4C)CC2)cc1.COc1cccc(N2CCN(Cn3cnc4c3c(=O)n(C)c(=O)n4C)CC2)c1.Cc1ccc(C)c(N2CCN(Cn3cnc4c3c(=O)n(C)c(=O)n4C)CC2)c1.Cn1c(=O)c2c(ncn2CN2CCN(c3ccc(Cl)c(Cl)c3)CC2)n(C)c1=O.Cn1c(=O)c2c(ncn2CN2CCN(c3ccc(Cl)cc3)CC2)n(C)c1=O.Cn1c(=O)c2c(ncn2CN2CCN(c3cccc(Cl)c3)CC2)n(C)c1=O.Cn1c(=O)c2c(ncn2CN2CCN(c3ccccc3Cl)CC2)n(C)c1=O
InChIInChI=1S/C20H26N6O2.2C19H24N6O3.C18H20Cl2N6O2.3C18H21ClN6O2/c1-14-5-6-15(2)16(11-14)25-9-7-24(8-10-25)13-26-12-21-18-17(26)19(27)23(4)20(28)22(18)3;1-21-17-16(18(26)22(2)19(21)27)25(12-20-17)13-23-8-10-24(11-9-23)14-4-6-15(28-3)7-5-14;1-21-17-16(18(26)22(2)19(21)27)25(12-20-17)13-23-7-9-24(10-8-23)14-5-4-6-15(11-14)28-3;1-22-16-15(17(27)23(2)18(22)28)26(10-21-16)11-24-5-7-25(8-6-24)12-3-4-13(19)14(20)9-12;1-21-16-15(17(26)22(2)18(21)27)25(11-20-16)12-23-7-9-24(10-8-23)14-5-3-13(19)4-6-14;1-21-16-15(17(26)22(2)18(21)27)25(11-20-16)12-23-6-8-24(9-7-23)14-5-3-4-13(19)10-14;1-21-16-15(17(26)22(2)18(21)27)25(11-20-16)12-23-7-9-24(10-8-23)14-6-4-3-5-13(14)19/h5-6,11-12H,7-10,13H2,1-4H3;4-7,12H,8-11,13H2,1-3H3;4-6,11-12H,7-10,13H2,1-3H3;3-4,9-10H,5-8,11H2,1-2H3;3-6,11H,7-10,12H2,1-2H3;3-5,10-11H,6-9,12H2,1-2H3;3-6,11H,7-10,12H2,1-2H3
InChIKeyVRPZYFHBNTTWNH-UHFFFAOYSA-N
MW2741.23 g/mol
LogP5.39
Rot. Bonds23

About 7-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1,3-dimethylpurine-2,6-dione;7-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-1,3-dimethylpurine-2,6-dione;7-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-1,3-dimethylpurine-2,6-dione;7-[[4-(3,4-dichlorophenyl)piperazin-1-yl]methyl]-1,3-dimethylpurine-2,6-dione;7-[[4-(2,5-dimethylphenyl)piperazin-1-yl]methyl]-1,3-dimethylpurine-2,6-dione;7-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-1,3-dimethylpurine-2,6-dione;7-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-1,3-dimethylpurine-2,6-dione

7-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1,3-dimethylpurine-2,6-dione;7-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-1,3-dimethylpurine-2,6-dione;7-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-1,3-dimethylpurine-2,6-dione;7-[[4-(3,4-dichlorophenyl)piperazin-1-yl]methyl]-1,3-dimethylpurine-2,6-dione;7-[[4-(2,5-dimethylphenyl)piperazin-1-yl]methyl]-1,3-dimethylpurine-2,6-dione;7-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-1,3-dimethylpurine-2,6-dione;7-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-1,3-dimethylpurine-2,6-dione (PubChem CID 161380289) has the molecular formula C130H157Cl5N42O16 and a molecular weight of 2741.23 g/mol. Its IUPAC name is 7-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1,3-dimethylpurine-2,6-dione;7-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-1,3-dimethylpurine-2,6-dione;7-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-1,3-dimethylpurine-2,6-dione;7-[[4-(3,4-dichlorophenyl)piperazin-1-yl]methyl]-1,3-dimethylpurine-2,6-dione;7-[[4-(2,5-dimethylphenyl)piperazin-1-yl]methyl]-1,3-dimethylpurine-2,6-dione;7-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-1,3-dimethylpurine-2,6-dione;7-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-1,3-dimethylpurine-2,6-dione.

Molecular Properties

Compound Name7-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1,3-dimethylpurine-2,6-dione;7-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-1,3-dimethylpurine-2,6-dione;7-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-1,3-dimethylpurine-2,6-dione;7-[[4-(3,4-dichlorophenyl)piperazin-1-yl]methyl]-1,3-dimethylpurine-2,6-dione;7-[[4-(2,5-dimethylphenyl)piperazin-1-yl]methyl]-1,3-dimethylpurine-2,6-dione;7-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-1,3-dimethylpurine-2,6-dione;7-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-1,3-dimethylpurine-2,6-dione
PubChem CID161380289
Molecular FormulaC130H157Cl5N42O16
Molecular Weight2741.23 g/mol
Exact Mass2737.12
IUPAC Name7-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1,3-dimethylpurine-2,6-dione;7-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-1,3-dimethylpurine-2,6-dione;7-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-1,3-dimethylpurine-2,6-dione;7-[[4-(3,4-dichlorophenyl)piperazin-1-yl]methyl]-1,3-dimethylpurine-2,6-dione;7-[[4-(2,5-dimethylphenyl)piperazin-1-yl]methyl]-1,3-dimethylpurine-2,6-dione;7-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-1,3-dimethylpurine-2,6-dione;7-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-1,3-dimethylpurine-2,6-dione
SMILESCOc1ccc(N2CCN(Cn3cnc4c3c(=O)n(C)c(=O)n4C)CC2)cc1.COc1cccc(N2CCN(Cn3cnc4c3c(=O)n(C)c(=O)n4C)CC2)c1.Cc1ccc(C)c(N2CCN(Cn3cnc4c3c(=O)n(C)c(=O)n4C)CC2)c1.Cn1c(=O)c2c(ncn2CN2CCN(c3ccc(Cl)c(Cl)c3)CC2)n(C)c1=O.Cn1c(=O)c2c(ncn2CN2CCN(c3ccc(Cl)cc3)CC2)n(C)c1=O.Cn1c(=O)c2c(ncn2CN2CCN(c3cccc(Cl)c3)CC2)n(C)c1=O.Cn1c(=O)c2c(ncn2CN2CCN(c3ccccc3Cl)CC2)n(C)c1=O
InChIInChI=1S/C20H26N6O2.2C19H24N6O3.C18H20Cl2N6O2.3C18H21ClN6O2/c1-14-5-6-15(2)16(11-14)25-9-7-24(8-10-25)13-26-12-21-18-17(26)19(27)23(4)20(28)22(18)3;1-21-17-16(18(26)22(2)19(21)27)25(12-20-17)13-23-8-10-24(11-9-23)14-4-6-15(28-3)7-5-14;1-21-17-16(18(26)22(2)19(21)27)25(12-20-17)13-23-7-9-24(10-8-23)14-5-4-6-15(11-14)28-3;1-22-16-15(17(27)23(2)18(22)28)26(10-21-16)11-24-5-7-25(8-6-24)12-3-4-13(19)14(20)9-12;1-21-16-15(17(26)22(2)18(21)27)25(11-20-16)12-23-7-9-24(10-8-23)14-5-3-13(19)4-6-14;1-21-16-15(17(26)22(2)18(21)27)25(11-20-16)12-23-6-8-24(9-7-23)14-5-3-4-13(19)10-14;1-21-16-15(17(26)22(2)18(21)27)25(11-20-16)12-23-7-9-24(10-8-23)14-6-4-3-5-13(14)19/h5-6,11-12H,7-10,13H2,1-4H3;4-7,12H,8-11,13H2,1-3H3;4-6,11-12H,7-10,13H2,1-3H3;3-4,9-10H,5-8,11H2,1-2H3;3-6,11H,7-10,12H2,1-2H3;3-5,10-11H,6-9,12H2,1-2H3;3-6,11H,7-10,12H2,1-2H3
InChIKeyVRPZYFHBNTTWNH-UHFFFAOYSA-N
XLogP5.39
TPSA496.56 Ų
H-Bond Donors
H-Bond Acceptors58
Rotatable Bonds23
Heavy Atoms193
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002741.23
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1058

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze 7-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1,3-dimethylpurine-2,6-dione;7-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-1,3-dimethylpurine-2,6-dione;7-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-1,3-dimethylpurine-2,6-dione;7-[[4-(3,4-dichlorophenyl)piperazin-1-yl]methyl]-1,3-dimethylpurine-2,6-dione;7-[[4-(2,5-dimethylphenyl)piperazin-1-yl]methyl]-1,3-dimethylpurine-2,6-dione;7-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-1,3-dimethylpurine-2,6-dione;7-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-1,3-dimethylpurine-2,6-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
7-[[4-(3-Chlorophenyl)-3-methylpiperazin-1-yl]methyl]-1,3-dimethylpurine-2,6-dione;1,3-dimethyl-7-[[3-methyl-4-(3-methylphenyl)piperazin-1-yl]methyl]purine-2,6-dione;1,3-dimethyl-7-[(4-phenylpiperidin-1-yl)methyl]purine-2,6-dione;7-[[4-(3-ethoxyphenyl)piperazin-1-yl]methyl]-1,3-dimethylpurine-2,6-dione;7-[[4-(4-ethoxyphenyl)piperazin-1-yl]methyl]-1,3-dimethylpurine-2,6-dione;7-[[4-(3-methoxyphenyl)-3-methylpiperazin-1-yl]methyl]-1,3-dimethylpurine-2,6-dione
CID 157575928
1-[[4-(3-Chlorophenyl)-3-methylpiperazin-1-yl]methyl]-3,7-dimethylpurine-2,6-dione;3,7-dimethyl-1-[[3-methyl-4-(3-methylphenyl)piperazin-1-yl]methyl]purine-2,6-dione;3,7-dimethyl-1-[(4-phenylpiperidin-1-yl)methyl]purine-2,6-dione;1-[[4-(4-ethoxyphenyl)piperazin-1-yl]methyl]-3,7-dimethylpurine-2,6-dione;1-[[4-(3-methoxyphenyl)-3-methylpiperazin-1-yl]methyl]-3,7-dimethylpurine-2,6-dione
CID 157585939
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
9-benzyl-1-methyl-3-propyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione;3-ethyl-9-[(4-methoxyphenyl)methyl]-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione;9-(4-methoxyphenyl)-1,3-dimethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione;9-(3-methoxyphenyl)-1,3,7-trimethyl-4a,6,7,8-tetrahydropurino[7,8-a]pyrimidin-5-ium-2,4-dione;9-(4-methoxyphenyl)-1,3,7-trimethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
CID 158896891
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
9-benzyl-1-methyl-3-propyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione;3-ethyl-9-(3-methoxyphenyl)-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione;9-(4-methoxyphenyl)-1,3-dimethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione;9-(3-methoxyphenyl)-1,3,7-trimethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione;9-(4-methoxyphenyl)-1,3,7-trimethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
CID 159321742
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 7-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1,3-dimethylpurine-2,6-dione;7-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-1,3-dimethylpurine-2,6-dione;7-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-1,3-dimethylpurine-2,6-dione;7-[[4-(3,4-dichlorophenyl)piperazin-1-yl]methyl]-1,3-dimethylpurine-2,6-dione;7-[[4-(2,5-dimethylphenyl)piperazin-1-yl]methyl]-1,3-dimethylpurine-2,6-dione;7-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-1,3-dimethylpurine-2,6-dione;7-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-1,3-dimethylpurine-2,6-dione?
The IUPAC name of 7-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1,3-dimethylpurine-2,6-dione;7-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-1,3-dimethylpurine-2,6-dione;7-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-1,3-dimethylpurine-2,6-dione;7-[[4-(3,4-dichlorophenyl)piperazin-1-yl]methyl]-1,3-dimethylpurine-2,6-dione;7-[[4-(2,5-dimethylphenyl)piperazin-1-yl]methyl]-1,3-dimethylpurine-2,6-dione;7-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-1,3-dimethylpurine-2,6-dione;7-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-1,3-dimethylpurine-2,6-dione (CID 161380289) is 7-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1,3-dimethylpurine-2,6-dione;7-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-1,3-dimethylpurine-2,6-dione;7-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-1,3-dimethylpurine-2,6-dione;7-[[4-(3,4-dichlorophenyl)piperazin-1-yl]methyl]-1,3-dimethylpurine-2,6-dione;7-[[4-(2,5-dimethylphenyl)piperazin-1-yl]methyl]-1,3-dimethylpurine-2,6-dione;7-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-1,3-dimethylpurine-2,6-dione;7-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-1,3-dimethylpurine-2,6-dione.
What is the SMILES notation for 7-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1,3-dimethylpurine-2,6-dione;7-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-1,3-dimethylpurine-2,6-dione;7-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-1,3-dimethylpurine-2,6-dione;7-[[4-(3,4-dichlorophenyl)piperazin-1-yl]methyl]-1,3-dimethylpurine-2,6-dione;7-[[4-(2,5-dimethylphenyl)piperazin-1-yl]methyl]-1,3-dimethylpurine-2,6-dione;7-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-1,3-dimethylpurine-2,6-dione;7-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-1,3-dimethylpurine-2,6-dione?
The canonical SMILES for 7-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1,3-dimethylpurine-2,6-dione;7-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-1,3-dimethylpurine-2,6-dione;7-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-1,3-dimethylpurine-2,6-dione;7-[[4-(3,4-dichlorophenyl)piperazin-1-yl]methyl]-1,3-dimethylpurine-2,6-dione;7-[[4-(2,5-dimethylphenyl)piperazin-1-yl]methyl]-1,3-dimethylpurine-2,6-dione;7-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-1,3-dimethylpurine-2,6-dione;7-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-1,3-dimethylpurine-2,6-dione is COc1ccc(N2CCN(Cn3cnc4c3c(=O)n(C)c(=O)n4C)CC2)cc1.COc1cccc(N2CCN(Cn3cnc4c3c(=O)n(C)c(=O)n4C)CC2)c1.Cc1ccc(C)c(N2CCN(Cn3cnc4c3c(=O)n(C)c(=O)n4C)CC2)c1.Cn1c(=O)c2c(ncn2CN2CCN(c3ccc(Cl)c(Cl)c3)CC2)n(C)c1=O.Cn1c(=O)c2c(ncn2CN2CCN(c3ccc(Cl)cc3)CC2)n(C)c1=O.Cn1c(=O)c2c(ncn2CN2CCN(c3cccc(Cl)c3)CC2)n(C)c1=O.Cn1c(=O)c2c(ncn2CN2CCN(c3ccccc3Cl)CC2)n(C)c1=O.
What is the InChIKey of 7-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1,3-dimethylpurine-2,6-dione;7-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-1,3-dimethylpurine-2,6-dione;7-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-1,3-dimethylpurine-2,6-dione;7-[[4-(3,4-dichlorophenyl)piperazin-1-yl]methyl]-1,3-dimethylpurine-2,6-dione;7-[[4-(2,5-dimethylphenyl)piperazin-1-yl]methyl]-1,3-dimethylpurine-2,6-dione;7-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-1,3-dimethylpurine-2,6-dione;7-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-1,3-dimethylpurine-2,6-dione?
The InChIKey is VRPZYFHBNTTWNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O2.2C19H24N6O3.C18H20Cl2N6O2.3C18H21ClN6O2/c1-14-5-6-15(2)16(11-14)25-9-7-24(8-10-25)13-26-12-21-18-17(26)19(27)23(4)20(28)22(18)3;1-21-17-16(18(26)22(2)19(21)27)25(12-20-17)13-23-8-10-24(11-9-23)14-4-6-15(28-3)7-5-14;1-21-17-16(18(26)22(2)19(21)27)25(12-20-17)13-23-7-9-24(10-8-23)14-5-4-6-15(11-14)28-3;1-22-16-15(17(27)23(2)18(22)28)26(10-21-16)11-24-5-7-25(8-6-24)12-3-4-13(19)14(20)9-12;1-21-16-15(17(26)22(2)18(21)27)25(11-20-16)12-23-7-9-24(10-8-23)14-5-3-13(19)4-6-14;1-21-16-15(17(26)22(2)18(21)27)25(11-20-16)12-23-6-8-24(9-7-23)14-5-3-4-13(19)10-14;1-21-16-15(17(26)22(2)18(21)27)25(11-20-16)12-23-7-9-24(10-8-23)14-6-4-3-5-13(14)19/h5-6,11-12H,7-10,13H2,1-4H3;4-7,12H,8-11,13H2,1-3H3;4-6,11-12H,7-10,13H2,1-3H3;3-4,9-10H,5-8,11H2,1-2H3;3-6,11H,7-10,12H2,1-2H3;3-5,10-11H,6-9,12H2,1-2H3;3-6,11H,7-10,12H2,1-2H3.
What are the key properties of 7-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1,3-dimethylpurine-2,6-dione;7-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-1,3-dimethylpurine-2,6-dione;7-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-1,3-dimethylpurine-2,6-dione;7-[[4-(3,4-dichlorophenyl)piperazin-1-yl]methyl]-1,3-dimethylpurine-2,6-dione;7-[[4-(2,5-dimethylphenyl)piperazin-1-yl]methyl]-1,3-dimethylpurine-2,6-dione;7-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-1,3-dimethylpurine-2,6-dione;7-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-1,3-dimethylpurine-2,6-dione?
7-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1,3-dimethylpurine-2,6-dione;7-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-1,3-dimethylpurine-2,6-dione;7-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-1,3-dimethylpurine-2,6-dione;7-[[4-(3,4-dichlorophenyl)piperazin-1-yl]methyl]-1,3-dimethylpurine-2,6-dione;7-[[4-(2,5-dimethylphenyl)piperazin-1-yl]methyl]-1,3-dimethylpurine-2,6-dione;7-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-1,3-dimethylpurine-2,6-dione;7-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-1,3-dimethylpurine-2,6-dione has a molecular weight of 2741.23 g/mol, XLogP of 5.39, 23 rotatable bonds, 0 hydrogen bond donors, and 58 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1,3-dimethylpurine-2,6-dione;7-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-1,3-dimethylpurine-2,6-dione;7-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-1,3-dimethylpurine-2,6-dione;7-[[4-(3,4-dichlorophenyl)piperazin-1-yl]methyl]-1,3-dimethylpurine-2,6-dione;7-[[4-(2,5-dimethylphenyl)piperazin-1-yl]methyl]-1,3-dimethylpurine-2,6-dione;7-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-1,3-dimethylpurine-2,6-dione;7-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-1,3-dimethylpurine-2,6-dione is sourced from PubChem (CID 161380289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).