7-((1,3-dihydroxypropan-2-ylamino)methyl)-3H-pyrrolo[3,2-d]pyrimidin-4(5H)-one hydrochloride
Basic information
- Standard SMILES
Cl.O=c1[nH]cnc2c(CNC(CO)CO)c[nH]c12- InChIKey
YEFNSEIOMREMPB-UHFFFAOYSA-N- Molecular formula
- C10H15ClN4O3
- Average molar mass
- 274.7 g/mol
Names & identifiers
- Preferred name
- 7-((1,3-dihydroxypropan-2-ylamino)methyl)-3H-pyrrolo[3,2-d]pyrimidin-4(5H)-one hydrochloride
- IUPAC
- 7-[(1,3-dihydroxypropan-2-ylamino)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one;hydrochloride
Names & synonyms
SCHEMBL1415696YEFNSEIOMREMPB-UHFFFAOYSA-N7-((1,3-dihydroxypropan-2-ylamino)methyl)-3H-pyrrolo[3,2-d]pyrimidin-4(5H)-one hydrochloride
Database identifiers
- PubChem CID
- 136337779
Properties
Computed structural properties
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 306
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Related reactions
1 records
Compound notes
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