2-chloro-8-methyl-N-(2-methylsulfonylphenyl)-9-(2-trimethylsilylethoxymethyl)purin-6-amine

C19H26ClN5O3SSi — CID 142339198

IUPAC2-chloro-8-methyl-N-(2-methylsulfonylphenyl)-9-(2-trimethylsilylethoxymethyl)purin-6-amine
SMILESCc1nc2c(Nc3ccccc3S(C)(=O)=O)nc(Cl)nc2n1COCC[Si](C)(C)C
InChIInChI=1S/C19H26ClN5O3SSi/c1-13-21-16-17(22-14-8-6-7-9-15(14)29(2,26)27)23-19(20)24-18(16)25(13)12-28-10-11-30(3,4)5/h6-9H,10-12H2,1-5H3,(H,22,23,24)
InChIKeyWETFUZWDSZOZSA-UHFFFAOYSA-N
MW468.06 g/mol
LogP4.25
Rot. Bonds8

About 2-chloro-8-methyl-N-(2-methylsulfonylphenyl)-9-(2-trimethylsilylethoxymethyl)purin-6-amine

2-chloro-8-methyl-N-(2-methylsulfonylphenyl)-9-(2-trimethylsilylethoxymethyl)purin-6-amine (PubChem CID 142339198) has the molecular formula C19H26ClN5O3SSi and a molecular weight of 468.06 g/mol. Its IUPAC name is 2-chloro-8-methyl-N-(2-methylsulfonylphenyl)-9-(2-trimethylsilylethoxymethyl)purin-6-amine.

Molecular Properties

Compound Name2-chloro-8-methyl-N-(2-methylsulfonylphenyl)-9-(2-trimethylsilylethoxymethyl)purin-6-amine
PubChem CID142339198
Molecular FormulaC19H26ClN5O3SSi
Molecular Weight468.06 g/mol
Exact Mass467.12
IUPAC Name2-chloro-8-methyl-N-(2-methylsulfonylphenyl)-9-(2-trimethylsilylethoxymethyl)purin-6-amine
SMILESCc1nc2c(Nc3ccccc3S(C)(=O)=O)nc(Cl)nc2n1COCC[Si](C)(C)C
InChIInChI=1S/C19H26ClN5O3SSi/c1-13-21-16-17(22-14-8-6-7-9-15(14)29(2,26)27)23-19(20)24-18(16)25(13)12-28-10-11-30(3,4)5/h6-9H,10-12H2,1-5H3,(H,22,23,24)
InChIKeyWETFUZWDSZOZSA-UHFFFAOYSA-N
XLogP4.25
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.06
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

2-[(2,6-dichloro-8-methylpurin-9-yl)methoxy]ethyl-trimethylsilane
CID 142339206
4,6-dichloro-N-(2-methylsulfonylphenyl)-1,3,5-triazin-2-amine
CID 59284574
2,5-dimethyl-3-(2-trimethylsilylethoxymethyl)quinazolin-4-one
CID 70196598
2-chloro-N-(2-dimethylphosphoryl-5-ethenylphenyl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-amine
CID 156755773
2-[(2-chloropyrido[2,3-b]indol-9-yl)methoxy]ethyl-trimethylsilane
CID 164812062
2-[(6-chloro-4-ethynyl-2-methylsulfonylbenzimidazol-1-yl)methoxy]ethyl-trimethylsilane
CID 87362188
3-[[2,5-dichloro-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]amino]propan-1-ol
CID 166600427
5-chloro-6-ethyl-3-(2-methylsulfonylanilino)pyrazine-2-carboxamide
CID 88569686
tert-butyl N-[2-[2-chloro-4-(furan-2-ylmethylamino)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-6-yl]ethyl]-N-methylcarbamate
CID 154681113
4,5-dichloro-1-(2-trimethylsilylethoxymethyl)imidazole-2-sulfonyl chloride
CID 86761667
1-(2-trimethylsilylethoxymethyl)benzimidazole-4-sulfonyl chloride
CID 155711383
2-[(6-bromo-2-methyl-4-phenylmethoxybenzimidazol-1-yl)methoxy]ethyl-trimethylsilane
CID 46221162

Frequently Asked Questions

What is the IUPAC name of 2-chloro-8-methyl-N-(2-methylsulfonylphenyl)-9-(2-trimethylsilylethoxymethyl)purin-6-amine?
The IUPAC name of 2-chloro-8-methyl-N-(2-methylsulfonylphenyl)-9-(2-trimethylsilylethoxymethyl)purin-6-amine (CID 142339198) is 2-chloro-8-methyl-N-(2-methylsulfonylphenyl)-9-(2-trimethylsilylethoxymethyl)purin-6-amine.
What is the SMILES notation for 2-chloro-8-methyl-N-(2-methylsulfonylphenyl)-9-(2-trimethylsilylethoxymethyl)purin-6-amine?
The canonical SMILES for 2-chloro-8-methyl-N-(2-methylsulfonylphenyl)-9-(2-trimethylsilylethoxymethyl)purin-6-amine is Cc1nc2c(Nc3ccccc3S(C)(=O)=O)nc(Cl)nc2n1COCC[Si](C)(C)C.
What is the InChIKey of 2-chloro-8-methyl-N-(2-methylsulfonylphenyl)-9-(2-trimethylsilylethoxymethyl)purin-6-amine?
The InChIKey is WETFUZWDSZOZSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26ClN5O3SSi/c1-13-21-16-17(22-14-8-6-7-9-15(14)29(2,26)27)23-19(20)24-18(16)25(13)12-28-10-11-30(3,4)5/h6-9H,10-12H2,1-5H3,(H,22,23,24).
What are the key properties of 2-chloro-8-methyl-N-(2-methylsulfonylphenyl)-9-(2-trimethylsilylethoxymethyl)purin-6-amine?
2-chloro-8-methyl-N-(2-methylsulfonylphenyl)-9-(2-trimethylsilylethoxymethyl)purin-6-amine has a molecular weight of 468.06 g/mol, XLogP of 4.25, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-8-methyl-N-(2-methylsulfonylphenyl)-9-(2-trimethylsilylethoxymethyl)purin-6-amine is sourced from PubChem (CID 142339198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).