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Basic information
- CAS
950661-87-7- Standard SMILES
C[Si](C)(C)CCOCn1cc(C#N)c2c(Cl)nc(Cl)nc21- InChIKey
DORIEEQYSAYTHN-UHFFFAOYSA-N- Molecular formula
- C13H16Cl2N4OSi
- Average molar mass
- 343.28 g/mol
- Monoisotopic mass
- 342.04704302
Names & identifiers
- Preferred name
- 2,4-Dichloro-7-((2-(trimethylsilyl)ethoxy)methyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
- IUPAC
- 2,4-dichloro-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carbonitrile
- English name
- 2,4-dichloro-7-{[2-(trimethylsilyl)ethoxy]methyl}-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
- Molecular formula
- C13H16Cl2N4OSi
- Molecular weight
- 343.28
Names & synonyms
950661-87-72,4-Dichloro-7-((2-(trimethylsilyl)ethoxy)methyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile2,4-dichloro-7-{[2-(trimethylsilyl)ethoxy]methyl}-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile2,4-Dichloro-7-[[2-(trimethylsilyl)ethoxy]methyl]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrileSCHEMBL2565787DORIEEQYSAYTHN-UHFFFAOYSA-NDTXSID101120056DB-0983082,4-dichloro-7-(2-trimethylsilanyl-ethoxymethyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile7H-Pyrrolo[2,3-d]pyrimidine-5-carbonitrile, 2,4-dichloro-7-[[2-(trimethylsilyl)ethoxy]methyl]-
Database identifiers
- CAS
950661-87-7- PubChem CID
- 57749474
- DTXSID
DTXSID101120056
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 63.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 411
Physicochemical properties
- Density
- 1.3 · 1.30±0.1 g/cm3(Predicted)
- pka
- 0.26 · 0.26±0.30(Predicted)
Chemistry & industry
Suppliers4 total
河南阿尔法化工有限公司0371-55051623 18137891487 · [email protected]
上海腾彤化工科技有限公司17602173738 · [email protected]
JACS-郑州杰克斯化工产品有限公司0371-86259281 13223061139 · [email protected]
Nanjing Moldeep Biochemical Co., Ltd.+86-25-58282389 +86-17351037455 · [email protected]
Related reactions
2 records
Compound notes
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