Basic information
- CAS
125646-11-9- Standard SMILES
CC(Cc1ccccc1)NCC1CC(=O)NC(=O)N1.Cl- InChIKey
MXYQNQZUQKYQFD-UHFFFAOYSA-N- Molecular formula
- C14H20ClN3O2
- Average molar mass
- 297.78 g/mol
- Monoisotopic mass
- 297.1244046
Overview
structure given in first source
Names & identifiers
- Preferred name
- Iem 1370
- IUPAC
- 6-[(1-phenylpropan-2-ylamino)methyl]-1,3-diazinane-2,4-dione;hydrochloride
Names & synonyms
Iem-1370Iem 1370125646-11-92,4(1H,3H)-Pyrimidinedione, 5,6-dihydro-6-(((1-methyl-2-phenylethyl)amino)methyl)-, monohydrochlorideRefChem:147720DTXSID109251996-[(1-phenylpropan-2-ylamino)methyl]-1,3-diazinane-2,4-dione;hydrochloride6-{[(1-Phenylpropan-2-yl)amino]methyl}-5,6-dihydropyrimidine-2,4-diol--hydrogen chloride (1/1)
Database identifiers
- CAS
125646-11-9- PubChem CID
- 130488
- DTXSID
DTXSID10925199
Properties
Computed structural properties
- Topological polar surface area
- 70.2 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 327
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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