Basic information
- CAS
125056-89-5- Standard SMILES
C#Cc1c(C)c(=O)[nH]c(=O)n1COCCO- InChIKey
PLMDRSHIPAEVJO-UHFFFAOYSA-N- Molecular formula
- C10H12N2O4
- Average molar mass
- 224.21 g/mol
- Monoisotopic mass
- 224.07970687
Names & identifiers
- Preferred name
- 2,4(1H,3H)-Pyrimidinedione, 6-ethynyl-1-((2-hydroxyethoxy)methyl)-5-methyl-
- IUPAC
- 6-ethynyl-1-(2-hydroxyethoxymethyl)-5-methylpyrimidine-2,4-dione
Names & synonyms
6Ethynyl-1(-2OHEtOMe)T125056-89-52,4(1H,3H)-Pyrimidinedione, 6-ethynyl-1-((2-hydroxyethoxy)methyl)-5-methyl-6-Ethynyl-1-((2-hydroxyethoxy)methyl)thymine6-Ethynyl-1-[(2-hydroxyethoxy)methyl]thymine2,4(1H,3H)-Pyrimidinedione, 6-ethynyl-1-[(2-hydroxyethoxy)methyl]-5-methyl-CHEMBL120888SCHEMBL9353761DTXSID801546116-ethynyl-1-(2-hydroxyethoxymethyl)-5-methyl-pyrimidine-2,4-dione6-Ethynyl-1-[(2-hydroxyethoxy)methyl]-5-methylpyrimidine-2,4(1H,3H)-dione
Database identifiers
- CAS
125056-89-5- PubChem CID
- 452913
- DTXSID
DTXSID80154611- ChEMBL
CHEMBL120888- Nikkaji
- J362.143J
Properties
Computed structural properties
- XLogP
- -0.9
- Topological polar surface area
- 78.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 391
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…