Basic information
- Standard SMILES
CC(C)(C)CNc1nc(Cl)ncc1C(=O)O- InChIKey
BVQMBHQLHOFFID-UHFFFAOYSA-N- Molecular formula
- C10H14ClN3O2
- Average molar mass
- 243.69 g/mol
- Monoisotopic mass
- 243.0774544
Names & identifiers
- Preferred name
- 2-Chloro-4-(2,2-dimethylpropylamino)pyrimidine-5-carboxylic acid
- IUPAC
- 2-chloro-4-(2,2-dimethylpropylamino)pyrimidine-5-carboxylic acid
Names & synonyms
SCHEMBL5787248
Database identifiers
- PubChem CID
- 21941879
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 75.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 255
Related reactions
1 records
Compound notes
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