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Basic information
- Standard SMILES
Cc1nc(C(=O)O)c2cc(C3CCC(C)(C)CC3)sc2n1- InChIKey
QNXCZSIJXKHBGL-UHFFFAOYSA-N- Molecular formula
- C16H20N2O2S
- Average molar mass
- 304.4 g/mol
Names & identifiers
- Preferred name
- 6-(4,4-Dimethylcyclohexyl)-2-methylthieno[2,3-d]pyrimidine-4-carboxylic acid
- IUPAC
- 6-(4,4-dimethylcyclohexyl)-2-methylthieno[2,3-d]pyrimidine-4-carboxylic acid
Names & synonyms
SCHEMBL16653411QNXCZSIJXKHBGL-UHFFFAOYSA-N6-(4,4-dimethylcyclohexyl)-2-methylthieno[2,3-d]pyrimidine-4-carboxylic acid
Database identifiers
- PubChem CID
- 118024003
Properties
Computed structural propertiesFilling in
- XLogP
- 4.7
- Topological polar surface area
- 91.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 405
Related reactions
2 records
Compound notes
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