2-amino-6-(3-chloroanilino)-1H-pyrimidine-4-thione
Basic information
- CAS
91552-00-0- Standard SMILES
Nc1nc(=S)cc(Nc2cccc(Cl)c2)[nH]1- InChIKey
HFEVZIFJOKYEFF-UHFFFAOYSA-N- Molecular formula
- C10H9ClN4S
- Average molar mass
- 252.72 g/mol
- Monoisotopic mass
- 252.0236452
Names & identifiers
- Preferred name
- 2-amino-6-(3-chloroanilino)-1H-pyrimidine-4-thione
- IUPAC
- 2-amino-6-(3-chloroanilino)-1H-pyrimidine-4-thione
Names & synonyms
NSC4762691552-00-0DTXSID80391903NSC-476262-Amino-6-(3-chloroanilino)pyrimidine-4(1H)-thione
Database identifiers
- CAS
91552-00-0- PubChem CID
- 3373153
- DTXSID
DTXSID80391903
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 94.5 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 353
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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