4-Amino-5-cyano-6-(methylthio)-7-((RS)-2,3-dihydroxypropyl)pyrrolo(2,3-d)-pyrimidine
Basic information
- CAS
127945-88-4- Standard SMILES
CSc1c(C#N)c2c(N)ncnc2n1CC(O)CO- InChIKey
UAVHGFOCESJXIH-UHFFFAOYSA-N- Molecular formula
- C11H13N5O2S
- Average molar mass
- 279.32 g/mol
- Monoisotopic mass
- 279.07899585
Names & identifiers
- Preferred name
- 4-Amino-5-cyano-6-(methylthio)-7-((RS)-2,3-dihydroxypropyl)pyrrolo(2,3-d)-pyrimidine
- IUPAC
- 4-amino-7-(2,3-dihydroxypropyl)-6-methylsulfanylpyrrolo[2,3-d]pyrimidine-5-carbonitrile
Names & synonyms
7-CN-8-MeS-9-(2,3-diOHPr)-7-deazaA127945-88-44-Amino-5-cyano-6-(methylthio)-7-((RS)-2,3-dihydroxypropyl)pyrrolo(2,3-d)-pyrimidine7H-Pyrrolo(2,3-d)pyrimidine-5-carbonitrile, 4-amino-7-(2,3-dihydroxypropyl)-6-(methylthio)-, (1)-4-Amino-5-cyano-6-(methylthio)-7-[(RS)-2,3-dihydroxypropyl]pyrrolo[2,3-d]-pyrimidine7H-Pyrrolo[2,3-d]pyrimidine-5-carbonitrile, 4-amino-7-(2,3-dihydroxypropyl)-6-(methylthio)-, (1)-CHEMBL67494DTXSID009260394-Amino-7-(2,3-dihydroxypropyl)-6-(methylsulfanyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile4-amino-7-(2,3-dihydroxypropyl)-6-methylsulfanyl-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
Database identifiers
- CAS
127945-88-4- PubChem CID
- 452489
- DTXSID
DTXSID00926039- ChEMBL
CHEMBL67494- Nikkaji
- J336.660J
Properties
Computed structural properties
- XLogP
- -0.5
- Topological polar surface area
- 146 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 362
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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