Basic information
- Standard SMILES
CCNc1nc(SC)ncc1C(=O)O- InChIKey
UTWUINCSWMKVEY-UHFFFAOYSA-N- Molecular formula
- C8H11N3O2S
- Average molar mass
- 213.26 g/mol
Names & identifiers
- Preferred name
- 4-Ethylamino-2-methylthiopyrimidine-5-carboxylic acid
- IUPAC
- 4-(ethylamino)-2-methylsulfanylpyrimidine-5-carboxylic acid
Names & synonyms
1089724-08-24-(ethylamino)-2-(methylthio)-5-Pyrimidinecarboxylic acid4-(ethylamino)-2-(methylthio)pyrimidine-5-carboxylic acid4-ethylamino-2-methylthiopyrimidine-5-carboxylic acidMFCD129115224-(ethylamino)-2-methylsulfanylpyrimidine-5-carboxylic acid4-(ethylamino)-2-(methylsulfanyl)pyrimidine-5-carboxylic acid4-Ethylamino-2-methylthio 5-pyrimidinecarboxylic acidSCHEMBL2225998UTWUINCSWMKVEY-UHFFFAOYSA-NAKOS037646707AS-70452
Show more names
DA-22213CS-0062076W17446F6099154-ethylamino-2-methylthio-5-pyrimidinecarboxylic acid4-(ethylamino)-2-(methylthio)-5-Pyrimidinecarboxylicacid4-(ethylamino)-2-methylsulfanyl-pyrimidine-5-carboxylic acid
Database identifiers
- PubChem CID
- 22220168
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 203
Related reactions
2 records
Compound notes
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