Basic information
- Standard SMILES
CCC(C)Nc1nc(SC)nc(Cl)c1C=O- InChIKey
ADMDVLVHCXVNDP-UHFFFAOYSA-N- Molecular formula
- C10H14ClN3OS
- Average molar mass
- 259.76 g/mol
Names & identifiers
- Preferred name
- 4-Sec-butylamino-6-chloro-2-methylsulfanyl-pyrimidine-5-carbaldehyde
- IUPAC
- 4-(butan-2-ylamino)-6-chloro-2-methylsulfanylpyrimidine-5-carbaldehyde
Names & synonyms
SCHEMBL1064842SCHEMBL12122378ADMDVLVHCXVNDP-UHFFFAOYSA-N4-sec-butylamino-6-chloro-2-methylsulfanyl-pyrimidine-5-carbaldehyde
Database identifiers
- PubChem CID
- 59639584
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 80.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 232
Related reactions
18 records
Compound notes
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