6-amino-5-[8-[tert-butyl(dimethyl)silyl]oxy-2-oxooctyl]-1,3-dimethylpyrimidine-2,4-dione;8-(6-bromohexyl)-1,3,7-trimethylpurine-2,6-dione;7-[tert-butyl(dimethyl)silyl]oxyheptanoic acid;chloromethane;5,6-diamino-1,3-dimethylpyrimidine-2,4-dione;bis(6-(6-hydroxyhexyl)-1,3-dimethyl-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione);iodomethane;3-pyrrolidin-2-ylpyridine;1,3,7-trimethyl-8-[6-(2-pyridin-3-ylpyrrolidin-1-yl)hexyl]purine-2,6-dione

C115H188BrClIN25O19Si2 — CID 159016744

IUPAC6-amino-5-[8-[tert-butyl(dimethyl)silyl]oxy-2-oxooctyl]-1,3-dimethylpyrimidine-2,4-dione;8-(6-bromohexyl)-1,3,7-trimethylpurine-2,6-dione;7-[tert-butyl(dimethyl)silyl]oxyheptanoic acid;chloromethane;5,6-diamino-1,3-dimethylpyrimidine-2,4-dione;bis(6-(6-hydroxyhexyl)-1,3-dimethyl-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione);iodomethane;3-pyrrolidin-2-ylpyridine;1,3,7-trimethyl-8-[6-(2-pyridin-3-ylpyrrolidin-1-yl)hexyl]purine-2,6-dione
SMILESCC(C)(C)[Si](C)(C)OCCCCCCC(=O)O.CCl.CI.Cn1c(=O)c2c(nc(CCCCCCBr)n2C)n(C)c1=O.Cn1c(=O)c2c(nc(CCCCCCN3CCCC3c3cccnc3)n2C)n(C)c1=O.Cn1c(N)c(CC(=O)CCCCCCO[Si](C)(C)C(C)(C)C)c(=O)n(C)c1=O.Cn1c(N)c(N)c(=O)n(C)c1=O.Cn1c2c(c(=O)n(C)c1=O)CC(CCCCCCO)=N2.Cn1c2c(c(=O)n(C)c1=O)CC(CCCCCCO)=N2.c1cncc(C2CCCN2)c1
InChIInChI=1S/C23H32N6O2.C20H37N3O4Si.C14H21BrN4O2.2C14H21N3O3.C13H28O3Si.C9H12N2.C6H10N4O2.CH3Cl.CH3I/c1-26-19(25-21-20(26)22(30)28(3)23(31)27(21)2)12-6-4-5-7-14-29-15-9-11-18(29)17-10-8-13-24-16-17;1-20(2,3)28(6,7)27-13-11-9-8-10-12-15(24)14-16-17(21)22(4)19(26)23(5)18(16)25;1-17-10(8-6-4-5-7-9-15)16-12-11(17)13(20)19(3)14(21)18(12)2;2*1-16-12-11(13(19)17(2)14(16)20)9-10(15-12)7-5-3-4-6-8-18;1-13(2,3)17(4,5)16-11-9-7-6-8-10-12(14)15;1-3-8(7-10-5-1)9-4-2-6-11-9;1-9-4(8)3(7)5(11)10(2)6(9)12;2*1-2/h8,10,13,16,18H,4-7,9,11-12,14-15H2,1-3H3;8-14,21H2,1-7H3;4-9H2,1-3H3;2*18H,3-9H2,1-2H3;6-11H2,1-5H3,(H,14,15);1,3,5,7,9,11H,2,4,6H2;7-8H2,1-2H3;2*1H3
InChIKeyJTELUEFFJMQVKL-UHFFFAOYSA-N
MW2523.36 g/mol
LogP13.54
Rot. Bonds45

About 6-amino-5-[8-[tert-butyl(dimethyl)silyl]oxy-2-oxooctyl]-1,3-dimethylpyrimidine-2,4-dione;8-(6-bromohexyl)-1,3,7-trimethylpurine-2,6-dione;7-[tert-butyl(dimethyl)silyl]oxyheptanoic acid;chloromethane;5,6-diamino-1,3-dimethylpyrimidine-2,4-dione;bis(6-(6-hydroxyhexyl)-1,3-dimethyl-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione);iodomethane;3-pyrrolidin-2-ylpyridine;1,3,7-trimethyl-8-[6-(2-pyridin-3-ylpyrrolidin-1-yl)hexyl]purine-2,6-dione

6-amino-5-[8-[tert-butyl(dimethyl)silyl]oxy-2-oxooctyl]-1,3-dimethylpyrimidine-2,4-dione;8-(6-bromohexyl)-1,3,7-trimethylpurine-2,6-dione;7-[tert-butyl(dimethyl)silyl]oxyheptanoic acid;chloromethane;5,6-diamino-1,3-dimethylpyrimidine-2,4-dione;bis(6-(6-hydroxyhexyl)-1,3-dimethyl-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione);iodomethane;3-pyrrolidin-2-ylpyridine;1,3,7-trimethyl-8-[6-(2-pyridin-3-ylpyrrolidin-1-yl)hexyl]purine-2,6-dione (PubChem CID 159016744) has the molecular formula C115H188BrClIN25O19Si2 and a molecular weight of 2523.36 g/mol. Its IUPAC name is 6-amino-5-[8-[tert-butyl(dimethyl)silyl]oxy-2-oxooctyl]-1,3-dimethylpyrimidine-2,4-dione;8-(6-bromohexyl)-1,3,7-trimethylpurine-2,6-dione;7-[tert-butyl(dimethyl)silyl]oxyheptanoic acid;chloromethane;5,6-diamino-1,3-dimethylpyrimidine-2,4-dione;bis(6-(6-hydroxyhexyl)-1,3-dimethyl-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione);iodomethane;3-pyrrolidin-2-ylpyridine;1,3,7-trimethyl-8-[6-(2-pyridin-3-ylpyrrolidin-1-yl)hexyl]purine-2,6-dione.

Molecular Properties

Compound Name6-amino-5-[8-[tert-butyl(dimethyl)silyl]oxy-2-oxooctyl]-1,3-dimethylpyrimidine-2,4-dione;8-(6-bromohexyl)-1,3,7-trimethylpurine-2,6-dione;7-[tert-butyl(dimethyl)silyl]oxyheptanoic acid;chloromethane;5,6-diamino-1,3-dimethylpyrimidine-2,4-dione;bis(6-(6-hydroxyhexyl)-1,3-dimethyl-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione);iodomethane;3-pyrrolidin-2-ylpyridine;1,3,7-trimethyl-8-[6-(2-pyridin-3-ylpyrrolidin-1-yl)hexyl]purine-2,6-dione
PubChem CID159016744
Molecular FormulaC115H188BrClIN25O19Si2
Molecular Weight2523.36 g/mol
Exact Mass2520.20
IUPAC Name6-amino-5-[8-[tert-butyl(dimethyl)silyl]oxy-2-oxooctyl]-1,3-dimethylpyrimidine-2,4-dione;8-(6-bromohexyl)-1,3,7-trimethylpurine-2,6-dione;7-[tert-butyl(dimethyl)silyl]oxyheptanoic acid;chloromethane;5,6-diamino-1,3-dimethylpyrimidine-2,4-dione;bis(6-(6-hydroxyhexyl)-1,3-dimethyl-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione);iodomethane;3-pyrrolidin-2-ylpyridine;1,3,7-trimethyl-8-[6-(2-pyridin-3-ylpyrrolidin-1-yl)hexyl]purine-2,6-dione
SMILESCC(C)(C)[Si](C)(C)OCCCCCCC(=O)O.CCl.CI.Cn1c(=O)c2c(nc(CCCCCCBr)n2C)n(C)c1=O.Cn1c(=O)c2c(nc(CCCCCCN3CCCC3c3cccnc3)n2C)n(C)c1=O.Cn1c(N)c(CC(=O)CCCCCCO[Si](C)(C)C(C)(C)C)c(=O)n(C)c1=O.Cn1c(N)c(N)c(=O)n(C)c1=O.Cn1c2c(c(=O)n(C)c1=O)CC(CCCCCCO)=N2.Cn1c2c(c(=O)n(C)c1=O)CC(CCCCCCO)=N2.c1cncc(C2CCCN2)c1
InChIInChI=1S/C23H32N6O2.C20H37N3O4Si.C14H21BrN4O2.2C14H21N3O3.C13H28O3Si.C9H12N2.C6H10N4O2.CH3Cl.CH3I/c1-26-19(25-21-20(26)22(30)28(3)23(31)27(21)2)12-6-4-5-7-14-29-15-9-11-18(29)17-10-8-13-24-16-17;1-20(2,3)28(6,7)27-13-11-9-8-10-12-15(24)14-16-17(21)22(4)19(26)23(5)18(16)25;1-17-10(8-6-4-5-7-9-15)16-12-11(17)13(20)19(3)14(21)18(12)2;2*1-16-12-11(13(19)17(2)14(16)20)9-10(15-12)7-5-3-4-6-8-18;1-13(2,3)17(4,5)16-11-9-7-6-8-10-12(14)15;1-3-8(7-10-5-1)9-4-2-6-11-9;1-9-4(8)3(7)5(11)10(2)6(9)12;2*1-2/h8,10,13,16,18H,4-7,9,11-12,14-15H2,1-3H3;8-14,21H2,1-7H3;4-9H2,1-3H3;2*18H,3-9H2,1-2H3;6-11H2,1-5H3,(H,14,15);1,3,5,7,9,11H,2,4,6H2;7-8H2,1-2H3;2*1H3
InChIKeyJTELUEFFJMQVKL-UHFFFAOYSA-N
XLogP13.54
TPSA556.76 Ų
H-Bond Donors7
H-Bond Acceptors43
Rotatable Bonds45
Heavy Atoms164
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002523.36
LogP ≤ 513.54
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1043

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 6-amino-5-[8-[tert-butyl(dimethyl)silyl]oxy-2-oxooctyl]-1,3-dimethylpyrimidine-2,4-dione;8-(6-bromohexyl)-1,3,7-trimethylpurine-2,6-dione;7-[tert-butyl(dimethyl)silyl]oxyheptanoic acid;chloromethane;5,6-diamino-1,3-dimethylpyrimidine-2,4-dione;bis(6-(6-hydroxyhexyl)-1,3-dimethyl-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione);iodomethane;3-pyrrolidin-2-ylpyridine;1,3,7-trimethyl-8-[6-(2-pyridin-3-ylpyrrolidin-1-yl)hexyl]purine-2,6-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-amino-5-[8-[tert-butyl(dimethyl)silyl]oxy-2-oxooctyl]-1,3-dimethylpyrimidine-2,4-dione;8-(6-bromohexyl)-1,3,7-trimethylpurine-2,6-dione;7-[tert-butyl(dimethyl)silyl]oxyheptanoic acid;chloromethane;5,6-diamino-1,3-dimethylpyrimidine-2,4-dione;bis(6-(6-hydroxyhexyl)-1,3-dimethyl-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione);iodomethane;3-pyrrolidin-2-ylpyridine;1,3,7-trimethyl-8-[6-(2-pyridin-3-ylpyrrolidin-1-yl)hexyl]purine-2,6-dione?
The IUPAC name of 6-amino-5-[8-[tert-butyl(dimethyl)silyl]oxy-2-oxooctyl]-1,3-dimethylpyrimidine-2,4-dione;8-(6-bromohexyl)-1,3,7-trimethylpurine-2,6-dione;7-[tert-butyl(dimethyl)silyl]oxyheptanoic acid;chloromethane;5,6-diamino-1,3-dimethylpyrimidine-2,4-dione;bis(6-(6-hydroxyhexyl)-1,3-dimethyl-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione);iodomethane;3-pyrrolidin-2-ylpyridine;1,3,7-trimethyl-8-[6-(2-pyridin-3-ylpyrrolidin-1-yl)hexyl]purine-2,6-dione (CID 159016744) is 6-amino-5-[8-[tert-butyl(dimethyl)silyl]oxy-2-oxooctyl]-1,3-dimethylpyrimidine-2,4-dione;8-(6-bromohexyl)-1,3,7-trimethylpurine-2,6-dione;7-[tert-butyl(dimethyl)silyl]oxyheptanoic acid;chloromethane;5,6-diamino-1,3-dimethylpyrimidine-2,4-dione;bis(6-(6-hydroxyhexyl)-1,3-dimethyl-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione);iodomethane;3-pyrrolidin-2-ylpyridine;1,3,7-trimethyl-8-[6-(2-pyridin-3-ylpyrrolidin-1-yl)hexyl]purine-2,6-dione.
What is the SMILES notation for 6-amino-5-[8-[tert-butyl(dimethyl)silyl]oxy-2-oxooctyl]-1,3-dimethylpyrimidine-2,4-dione;8-(6-bromohexyl)-1,3,7-trimethylpurine-2,6-dione;7-[tert-butyl(dimethyl)silyl]oxyheptanoic acid;chloromethane;5,6-diamino-1,3-dimethylpyrimidine-2,4-dione;bis(6-(6-hydroxyhexyl)-1,3-dimethyl-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione);iodomethane;3-pyrrolidin-2-ylpyridine;1,3,7-trimethyl-8-[6-(2-pyridin-3-ylpyrrolidin-1-yl)hexyl]purine-2,6-dione?
The canonical SMILES for 6-amino-5-[8-[tert-butyl(dimethyl)silyl]oxy-2-oxooctyl]-1,3-dimethylpyrimidine-2,4-dione;8-(6-bromohexyl)-1,3,7-trimethylpurine-2,6-dione;7-[tert-butyl(dimethyl)silyl]oxyheptanoic acid;chloromethane;5,6-diamino-1,3-dimethylpyrimidine-2,4-dione;bis(6-(6-hydroxyhexyl)-1,3-dimethyl-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione);iodomethane;3-pyrrolidin-2-ylpyridine;1,3,7-trimethyl-8-[6-(2-pyridin-3-ylpyrrolidin-1-yl)hexyl]purine-2,6-dione is CC(C)(C)[Si](C)(C)OCCCCCCC(=O)O.CCl.CI.Cn1c(=O)c2c(nc(CCCCCCBr)n2C)n(C)c1=O.Cn1c(=O)c2c(nc(CCCCCCN3CCCC3c3cccnc3)n2C)n(C)c1=O.Cn1c(N)c(CC(=O)CCCCCCO[Si](C)(C)C(C)(C)C)c(=O)n(C)c1=O.Cn1c(N)c(N)c(=O)n(C)c1=O.Cn1c2c(c(=O)n(C)c1=O)CC(CCCCCCO)=N2.Cn1c2c(c(=O)n(C)c1=O)CC(CCCCCCO)=N2.c1cncc(C2CCCN2)c1.
What is the InChIKey of 6-amino-5-[8-[tert-butyl(dimethyl)silyl]oxy-2-oxooctyl]-1,3-dimethylpyrimidine-2,4-dione;8-(6-bromohexyl)-1,3,7-trimethylpurine-2,6-dione;7-[tert-butyl(dimethyl)silyl]oxyheptanoic acid;chloromethane;5,6-diamino-1,3-dimethylpyrimidine-2,4-dione;bis(6-(6-hydroxyhexyl)-1,3-dimethyl-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione);iodomethane;3-pyrrolidin-2-ylpyridine;1,3,7-trimethyl-8-[6-(2-pyridin-3-ylpyrrolidin-1-yl)hexyl]purine-2,6-dione?
The InChIKey is JTELUEFFJMQVKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N6O2.C20H37N3O4Si.C14H21BrN4O2.2C14H21N3O3.C13H28O3Si.C9H12N2.C6H10N4O2.CH3Cl.CH3I/c1-26-19(25-21-20(26)22(30)28(3)23(31)27(21)2)12-6-4-5-7-14-29-15-9-11-18(29)17-10-8-13-24-16-17;1-20(2,3)28(6,7)27-13-11-9-8-10-12-15(24)14-16-17(21)22(4)19(26)23(5)18(16)25;1-17-10(8-6-4-5-7-9-15)16-12-11(17)13(20)19(3)14(21)18(12)2;2*1-16-12-11(13(19)17(2)14(16)20)9-10(15-12)7-5-3-4-6-8-18;1-13(2,3)17(4,5)16-11-9-7-6-8-10-12(14)15;1-3-8(7-10-5-1)9-4-2-6-11-9;1-9-4(8)3(7)5(11)10(2)6(9)12;2*1-2/h8,10,13,16,18H,4-7,9,11-12,14-15H2,1-3H3;8-14,21H2,1-7H3;4-9H2,1-3H3;2*18H,3-9H2,1-2H3;6-11H2,1-5H3,(H,14,15);1,3,5,7,9,11H,2,4,6H2;7-8H2,1-2H3;2*1H3.
What are the key properties of 6-amino-5-[8-[tert-butyl(dimethyl)silyl]oxy-2-oxooctyl]-1,3-dimethylpyrimidine-2,4-dione;8-(6-bromohexyl)-1,3,7-trimethylpurine-2,6-dione;7-[tert-butyl(dimethyl)silyl]oxyheptanoic acid;chloromethane;5,6-diamino-1,3-dimethylpyrimidine-2,4-dione;bis(6-(6-hydroxyhexyl)-1,3-dimethyl-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione);iodomethane;3-pyrrolidin-2-ylpyridine;1,3,7-trimethyl-8-[6-(2-pyridin-3-ylpyrrolidin-1-yl)hexyl]purine-2,6-dione?
6-amino-5-[8-[tert-butyl(dimethyl)silyl]oxy-2-oxooctyl]-1,3-dimethylpyrimidine-2,4-dione;8-(6-bromohexyl)-1,3,7-trimethylpurine-2,6-dione;7-[tert-butyl(dimethyl)silyl]oxyheptanoic acid;chloromethane;5,6-diamino-1,3-dimethylpyrimidine-2,4-dione;bis(6-(6-hydroxyhexyl)-1,3-dimethyl-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione);iodomethane;3-pyrrolidin-2-ylpyridine;1,3,7-trimethyl-8-[6-(2-pyridin-3-ylpyrrolidin-1-yl)hexyl]purine-2,6-dione has a molecular weight of 2523.36 g/mol, XLogP of 13.54, 45 rotatable bonds, 7 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-[8-[tert-butyl(dimethyl)silyl]oxy-2-oxooctyl]-1,3-dimethylpyrimidine-2,4-dione;8-(6-bromohexyl)-1,3,7-trimethylpurine-2,6-dione;7-[tert-butyl(dimethyl)silyl]oxyheptanoic acid;chloromethane;5,6-diamino-1,3-dimethylpyrimidine-2,4-dione;bis(6-(6-hydroxyhexyl)-1,3-dimethyl-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione);iodomethane;3-pyrrolidin-2-ylpyridine;1,3,7-trimethyl-8-[6-(2-pyridin-3-ylpyrrolidin-1-yl)hexyl]purine-2,6-dione is sourced from PubChem (CID 159016744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).