2-chloro-N-(2-methylsulfonylethyl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-amine

C15H25ClN4O3SSi — CID 154698165

IUPAC2-chloro-N-(2-methylsulfonylethyl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-amine
SMILESC[Si](C)(C)CCOCn1ccc2c(NCCS(C)(=O)=O)nc(Cl)nc21
InChIInChI=1S/C15H25ClN4O3SSi/c1-24(21,22)9-6-17-13-12-5-7-20(14(12)19-15(16)18-13)11-23-8-10-25(2,3)4/h5,7H,6,8-11H2,1-4H3,(H,17,18,19)
InChIKeyKBOHPRWFEBHFDC-UHFFFAOYSA-N
MW405.00 g/mol
LogP2.85
Rot. Bonds9

About 2-chloro-N-(2-methylsulfonylethyl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-amine

2-chloro-N-(2-methylsulfonylethyl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 154698165) has the molecular formula C15H25ClN4O3SSi and a molecular weight of 405.00 g/mol. Its IUPAC name is 2-chloro-N-(2-methylsulfonylethyl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-(2-methylsulfonylethyl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID154698165
Molecular FormulaC15H25ClN4O3SSi
Molecular Weight405.00 g/mol
Exact Mass404.11
IUPAC Name2-chloro-N-(2-methylsulfonylethyl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-amine
SMILESC[Si](C)(C)CCOCn1ccc2c(NCCS(C)(=O)=O)nc(Cl)nc21
InChIInChI=1S/C15H25ClN4O3SSi/c1-24(21,22)9-6-17-13-12-5-7-20(14(12)19-15(16)18-13)11-23-8-10-25(2,3)4/h5,7H,6,8-11H2,1-4H3,(H,17,18,19)
InChIKeyKBOHPRWFEBHFDC-UHFFFAOYSA-N
XLogP2.85
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.00
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-chloro-4-ethenylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane
CID 87223684
2-chloro-N-(2-dimethylphosphoryl-5-ethenylphenyl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-amine
CID 156755773
2-[[4-(2-chloro-4,5-dimethoxyphenyl)-2-methylsulfonylpyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane
CID 150833204
3-[[2,5-dichloro-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]amino]propan-1-ol
CID 166600427
2-[[6-chloro-4-(2,4,6-trichlorophenoxy)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
CID 101395266
7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-amine
CID 70983690
4-[2-chloro-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]oxy-1-methylcyclohexan-1-ol
CID 175993151
4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carbaldehyde
CID 86676739
N-[3-[2-chloro-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]prop-2-enamide
CID 90096094
2-chloro-8-methyl-N-(2-methylsulfonylphenyl)-9-(2-trimethylsilylethoxymethyl)purin-6-amine
CID 142339198
2-[(2-chloro-4-morpholin-4-ylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethyl-λ4-sulfane
CID 130333156
2-[[2-chloro-4-(1-ethyl-3-azabicyclo[3.1.0]hexan-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane
CID 177211662

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-methylsulfonylethyl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-chloro-N-(2-methylsulfonylethyl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-amine (CID 154698165) is 2-chloro-N-(2-methylsulfonylethyl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-(2-methylsulfonylethyl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-(2-methylsulfonylethyl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-amine is C[Si](C)(C)CCOCn1ccc2c(NCCS(C)(=O)=O)nc(Cl)nc21.
What is the InChIKey of 2-chloro-N-(2-methylsulfonylethyl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is KBOHPRWFEBHFDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25ClN4O3SSi/c1-24(21,22)9-6-17-13-12-5-7-20(14(12)19-15(16)18-13)11-23-8-10-25(2,3)4/h5,7H,6,8-11H2,1-4H3,(H,17,18,19).
What are the key properties of 2-chloro-N-(2-methylsulfonylethyl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-amine?
2-chloro-N-(2-methylsulfonylethyl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 405.00 g/mol, XLogP of 2.85, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-methylsulfonylethyl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 154698165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).