Basic information
- CAS
7249-72-1- Standard SMILES
CSc1cc(C(=O)O)nc(N)n1- InChIKey
HBUMXKKBJLHTJM-UHFFFAOYSA-N- Molecular formula
- C6H7N3O2S
- Average molar mass
- 185.21 g/mol
- Monoisotopic mass
- 185.02589765
Names & identifiers
- Preferred name
- 2-Amino-6-(methylsulfanyl)pyrimidine-4-carboxylic acid
- IUPAC
- 2-amino-6-methylsulfanylpyrimidine-4-carboxylic acid
Names & synonyms
7249-72-12-amino-6-(methylsulfanyl)pyrimidine-4-carboxylic acidDTXSID80286360RefChem:255786DTXCID402375102-Amino-6-(methylthio)pyrimidine-4-carboxylic acidNSC45045SCHEMBL6157042NSC-450452-amino-6-methylthio-4-pyrimidine carboxylic acid
Database identifiers
- CAS
7249-72-1- PubChem CID
- 239690
- DTXSID
DTXSID80286360
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 114 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 178
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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