7-{[(1-Hydroxy-1-phenylpropan-2-yl)amino]methyl}-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione
Basic information
- CAS
15302-06-4- Standard SMILES
CC(NCn1cnc2c1c(=O)n(C)c(=O)n2C)C(O)c1ccccc1- InChIKey
BBHFULLSJOFRNO-UHFFFAOYSA-N- Molecular formula
- C17H21N5O3
- Average molar mass
- 343.4 g/mol
- Monoisotopic mass
- 343.16443955
Names & identifiers
- Preferred name
- 7-{[(1-Hydroxy-1-phenylpropan-2-yl)amino]methyl}-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione
- IUPAC
- 7-[[(1-hydroxy-1-phenylpropan-2-yl)amino]methyl]-1,3-dimethylpurine-2,6-dione
Names & synonyms
7-(((1-Hydroxy-1-phenylpropan-2-yl)amino)methyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione7-{[(1-hydroxy-1-phenylpropan-2-yl)amino]methyl}-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione7-{[(1-hydroxy-1-phenylpropan-2-yl)amino]methyl}-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dioneDTXSID10934665
Database identifiers
- CAS
15302-06-4- PubChem CID
- 186010
- DTXSID
DTXSID10934665
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 90.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 511
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…