Basic information
- CAS
21333-20-0- Standard SMILES
CC(Nc1cc(=O)[nH]c(=O)[nH]1)c1ccccc1- InChIKey
QMOZZFOMLNHYTQ-UHFFFAOYSA-N- Molecular formula
- C12H13N3O2
- Average molar mass
- 231.25 g/mol
- Monoisotopic mass
- 231.10077667
Names & identifiers
- Preferred name
- 2,4(1H,3H)-Pyrimidinedione, 6-[(1-phenylethyl)amino]-
- IUPAC
- 6-(1-phenylethylamino)-1H-pyrimidine-2,4-dione
Names & synonyms
21333-20-02,4(1H,3H)-Pyrimidinedione, 6-[(1-phenylethyl)amino]-NSC2105176-(1-phenylethylamino)-1H-pyrimidine-2,4-dione6-((1-phenylethyl)amino)pyrimidine-2,4(1H,3H)-dione6-[(1-Phenylethyl)amino]pyrimidine-2,4(1H,3H)-dioneCHEMBL3274239SCHEMBL30509629DTXSID20308979AKOS026714224NSC-210517F1967-3312
Show more names
Z1640894409
Database identifiers
- CAS
21333-20-0- PubChem CID
- 308658
- DTXSID
DTXSID20308979- ChEMBL
CHEMBL3274239
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 70.2 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 346
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…