8-benzyl-7-[2-[ethyl(2-trimethylsilyloxyethyl)amino]ethyl]-1,3-dimethylpurine-2,6-dione

C23H35N5O3Si — CID 600120

IUPAC8-benzyl-7-[2-[ethyl(2-trimethylsilyloxyethyl)amino]ethyl]-1,3-dimethylpurine-2,6-dione
SMILESCCN(CCO[Si](C)(C)C)CCn1c(Cc2ccccc2)nc2c1c(=O)n(C)c(=O)n2C
InChIInChI=1S/C23H35N5O3Si/c1-7-27(15-16-31-32(4,5)6)13-14-28-19(17-18-11-9-8-10-12-18)24-21-20(28)22(29)26(3)23(30)25(21)2/h8-12H,7,13-17H2,1-6H3
InChIKeyHUEVSUWKGHXSHI-UHFFFAOYSA-N
MW457.65 g/mol
LogP2.20
Rot. Bonds10

About 8-benzyl-7-[2-[ethyl(2-trimethylsilyloxyethyl)amino]ethyl]-1,3-dimethylpurine-2,6-dione

8-benzyl-7-[2-[ethyl(2-trimethylsilyloxyethyl)amino]ethyl]-1,3-dimethylpurine-2,6-dione (PubChem CID 600120) has the molecular formula C23H35N5O3Si and a molecular weight of 457.65 g/mol. Its IUPAC name is 8-benzyl-7-[2-[ethyl(2-trimethylsilyloxyethyl)amino]ethyl]-1,3-dimethylpurine-2,6-dione.

Molecular Properties

Compound Name8-benzyl-7-[2-[ethyl(2-trimethylsilyloxyethyl)amino]ethyl]-1,3-dimethylpurine-2,6-dione
PubChem CID600120
Molecular FormulaC23H35N5O3Si
Molecular Weight457.65 g/mol
Exact Mass457.25
IUPAC Name8-benzyl-7-[2-[ethyl(2-trimethylsilyloxyethyl)amino]ethyl]-1,3-dimethylpurine-2,6-dione
SMILESCCN(CCO[Si](C)(C)C)CCn1c(Cc2ccccc2)nc2c1c(=O)n(C)c(=O)n2C
InChIInChI=1S/C23H35N5O3Si/c1-7-27(15-16-31-32(4,5)6)13-14-28-19(17-18-11-9-8-10-12-18)24-21-20(28)22(29)26(3)23(30)25(21)2/h8-12H,7,13-17H2,1-6H3
InChIKeyHUEVSUWKGHXSHI-UHFFFAOYSA-N
XLogP2.20
TPSA74.29 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.65
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

7-[2-(diethylamino)ethyl]-1,3-dimethyl-8-phenylpurine-2,6-dione;hydrochloride
CID 70577095
8-[(dibenzylamino)methyl]-1,3-dimethyl-7-octadecylpurine-2,6-dione
CID 3309843
8-[(dibenzylamino)methyl]-1,3-dimethyl-7-octylpurine-2,6-dione
CID 5026553
8-benzyl-7-[1-[ethyl(2-hydroxyethyl)amino]ethyl]-1,3-dimethylpurine-2,6-dione
CID 67660879
8-benzyl-7-[2-[ethyl(2-hydroxyethyl)amino]ethyl]-3-[2-(1,2-oxazol-3-yl)ethyl]-1-propylpurine-2,6-dione
CID 66995864
3-[2-(4-aminophenyl)ethyl]-8-benzyl-1-butyl-7-[2-[ethyl(2-hydroxyethyl)amino]ethyl]purine-2,6-dione
CID 66996432
8-benzyl-7-[2-[ethyl(2-hydroxyethyl)amino]ethyl]-1-(3-methoxypropyl)-3-[2-(4-nitrophenyl)ethyl]purine-2,6-dione
CID 66995737
8-benzyl-7-[2-[ethyl(2-hydroxyethyl)amino]ethyl]-1-propyl-3-[2-(2H-1,3-thiazol-3-yl)ethyl]purine-2,6-dione
CID 66996349
7-[2-(dimethylamino)ethyl]-8-ethyl-1,3-dimethylpurine-2,6-dione
CID 54323379
7-benzyl-1,3-dimethyl-8-methylsulfanylpurine-2,6-dione
CID 628923
3-[2-(3-aminophenyl)ethyl]-8-benzyl-7-[2-[ethyl(2-hydroxyethyl)amino]ethyl]-1-(3-methylsulfonylpropyl)purine-2,6-dione
CID 67268871
7-benzyl-1,3-dimethyl-8-(2-methylpropylsulfanyl)purine-2,6-dione
CID 979250

Frequently Asked Questions

What is the IUPAC name of 8-benzyl-7-[2-[ethyl(2-trimethylsilyloxyethyl)amino]ethyl]-1,3-dimethylpurine-2,6-dione?
The IUPAC name of 8-benzyl-7-[2-[ethyl(2-trimethylsilyloxyethyl)amino]ethyl]-1,3-dimethylpurine-2,6-dione (CID 600120) is 8-benzyl-7-[2-[ethyl(2-trimethylsilyloxyethyl)amino]ethyl]-1,3-dimethylpurine-2,6-dione.
What is the SMILES notation for 8-benzyl-7-[2-[ethyl(2-trimethylsilyloxyethyl)amino]ethyl]-1,3-dimethylpurine-2,6-dione?
The canonical SMILES for 8-benzyl-7-[2-[ethyl(2-trimethylsilyloxyethyl)amino]ethyl]-1,3-dimethylpurine-2,6-dione is CCN(CCO[Si](C)(C)C)CCn1c(Cc2ccccc2)nc2c1c(=O)n(C)c(=O)n2C.
What is the InChIKey of 8-benzyl-7-[2-[ethyl(2-trimethylsilyloxyethyl)amino]ethyl]-1,3-dimethylpurine-2,6-dione?
The InChIKey is HUEVSUWKGHXSHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N5O3Si/c1-7-27(15-16-31-32(4,5)6)13-14-28-19(17-18-11-9-8-10-12-18)24-21-20(28)22(29)26(3)23(30)25(21)2/h8-12H,7,13-17H2,1-6H3.
What are the key properties of 8-benzyl-7-[2-[ethyl(2-trimethylsilyloxyethyl)amino]ethyl]-1,3-dimethylpurine-2,6-dione?
8-benzyl-7-[2-[ethyl(2-trimethylsilyloxyethyl)amino]ethyl]-1,3-dimethylpurine-2,6-dione has a molecular weight of 457.65 g/mol, XLogP of 2.20, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-benzyl-7-[2-[ethyl(2-trimethylsilyloxyethyl)amino]ethyl]-1,3-dimethylpurine-2,6-dione is sourced from PubChem (CID 600120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).