Basic information
- CAS
62102-31-2- Standard SMILES
O=c1ccn(C2CC(CO)CC2O)c(=O)[nH]1- InChIKey
DPWHBIMKUXLNPO-UHFFFAOYSA-N- Molecular formula
- C10H14N2O4
- Average molar mass
- 226.23 g/mol
- Monoisotopic mass
- 226.09535693
Names & identifiers
- Preferred name
- 1-[2-Hydroxy-4-(hydroxymethyl)cyclopentyl]pyrimidine-2,4-dione
- IUPAC
- 1-[2-hydroxy-4-(hydroxymethyl)cyclopentyl]pyrimidine-2,4-dione
Names & synonyms
NSC26745062102-31-2CHEMBL297410DTXSID00313208NSC-2674501-[2-Hydroxy-4-(hydroxymethyl)cyclopentyl]pyrimidine-2,4(1H,3H)-dione
Database identifiers
- CAS
62102-31-2- PubChem CID
- 320345
- DTXSID
DTXSID00313208- ChEMBL
CHEMBL297410
Properties
Computed structural properties
- XLogP
- -1.3
- Topological polar surface area
- 89.9 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 342
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…