2,4(1H,3H)-Pyrimidinedione, 6-chloro-1-((2-hydroxyethoxy)methyl)-5-methyl-
Basic information
- CAS
131194-11-1- Standard SMILES
Cc1c(Cl)n(COCCO)c(=O)[nH]c1=O- InChIKey
APOHMHSJHSNWMU-UHFFFAOYSA-N- Molecular formula
- C8H11ClN2O4
- Average molar mass
- 234.64 g/mol
- Monoisotopic mass
- 234.0407345
Names & identifiers
- Preferred name
- 2,4(1H,3H)-Pyrimidinedione, 6-chloro-1-((2-hydroxyethoxy)methyl)-5-methyl-
- IUPAC
- 6-chloro-1-(2-hydroxyethoxymethyl)-5-methylpyrimidine-2,4-dione
Names & synonyms
6Cl-1-(2OHEtOMe)T131194-11-12,4(1H,3H)-Pyrimidinedione, 6-chloro-1-((2-hydroxyethoxy)methyl)-5-methyl-6-Chloro-1-((2-hydroxyethoxy)methyl)thymine2,4(1H,3H)-Pyrimidinedione, 6-chloro-1-[(2-hydroxyethoxy)methyl]-5-methyl-6-Chloro-1-[(2-hydroxyethoxy)methyl]thymineCHEMBL118888DTXSID301569486-chloro-1-(2-hydroxyethoxymethyl)-5-methyl-pyrimidine-2,4-dione6-Chloro-1-[(2-hydroxyethoxy)methyl]-5-methylpyrimidine-2,4(1H,3H)-dione
Database identifiers
- CAS
131194-11-1- PubChem CID
- 452907
- DTXSID
DTXSID30156948- ChEMBL
CHEMBL118888- Nikkaji
- J362.137E
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 78.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 316
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Compound notes
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