7H-Pyrrolo(2,3-d)pyrimidine-5-carboxamide, 4-amino-7-((2-hydroxy-1-(hydroxymethyl)ethoxy)methyl)-6-(methylthio)-
Basic information
- CAS
127945-92-0- Standard SMILES
CSc1c(C(N)=O)c2c(N)ncnc2n1COC(CO)CO- InChIKey
JMVZSBHVPKVTLV-UHFFFAOYSA-N- Molecular formula
- C12H17N5O4S
- Average molar mass
- 327.36 g/mol
- Monoisotopic mass
- 327.10012521
Names & identifiers
- Preferred name
- 7H-Pyrrolo(2,3-d)pyrimidine-5-carboxamide, 4-amino-7-((2-hydroxy-1-(hydroxymethyl)ethoxy)methyl)-6-(methylthio)-
- IUPAC
- 4-amino-7-(1,3-dihydroxypropan-2-yloxymethyl)-6-methylsulfanylpyrrolo[2,3-d]pyrimidine-5-carboxamide
Names & synonyms
7-NH2CO-8-MeS-7-deaza-acycloA127945-92-07H-Pyrrolo(2,3-d)pyrimidine-5-carboxamide, 4-amino-7-((2-hydroxy-1-(hydroxymethyl)ethoxy)methyl)-6-(methylthio)-4-Amino-5-(aminocarbonyl)-6-(methylthio)-7-((1,3-dihydroxy-2-propoxy)methyl)-pyrrolo(2,3-d)pyrimidine4-Amino-5-(aminocarbonyl)-6-(methylthio)-7-[(1,3-dihydroxy-2-propoxy)methyl]-pyrrolo[2,3-d]pyrimidine7H-Pyrrolo[2,3-d]pyrimidine-5-carboxamide, 4-amino-7-[[2-hydroxy-1-(hydroxymethyl)ethoxy]methyl]-6-(methylthio)-CHEMBL68929DTXSID901557504-amino-7-{[(1,3-dihydroxypropan-2-yl)oxy]methyl}-6-(methylsulfanyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide4-amino-7-[[2-hydroxy-1-(hydroxymethyl)ethoxy]methyl]-6-methylsulfanyl-pyrrolo[2,3-d]pyrimidine-5-carboxamide
Database identifiers
- CAS
127945-92-0- PubChem CID
- 452483
- DTXSID
DTXSID90155750- ChEMBL
CHEMBL68929- Nikkaji
- J336.650B
Properties
Computed structural properties
- XLogP
- -1.4
- Topological polar surface area
- 175 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 387
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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