Basic information
- Standard SMILES
COc1ccc(CNc2nc(SC)nc(Cl)c2C(=O)O)cc1Cl- InChIKey
LXUWDEKKBPBRHH-UHFFFAOYSA-N- Molecular formula
- C14H13Cl2N3O3S
- Average molar mass
- 374.2 g/mol
- Monoisotopic mass
- 373.0054678
Names & identifiers
- Preferred name
- 4-(3-Chloro-4-methoxybenzylamino)-5-carboxy-6-chloro-2-methylthiopyrimidine
- IUPAC
- 4-chloro-6-[(3-chloro-4-methoxyphenyl)methylamino]-2-methylsulfanylpyrimidine-5-carboxylic acid
Names & synonyms
SCHEMBL4975913LXUWDEKKBPBRHH-UHFFFAOYSA-N4-(3-chloro-4-methoxybenzylamino)-5-carboxy-6-chloro-2-methylthiopyrimidine
Database identifiers
- PubChem CID
- 17848268
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 407
Related reactions
8 records
Compound notes
Loading…