Basic information
- Standard SMILES
Nc1ccc(-c2csc3nc(N)nc(N)c23)cc1- InChIKey
CEHGGRYJORPKMB-UHFFFAOYSA-N- Molecular formula
- C12H11N5S
- Average molar mass
- 257.32 g/mol
- Monoisotopic mass
- 257.07351655
Names & identifiers
- Preferred name
- 5-(4-Aminophenyl)thieno[2,3-d]pyrimidine-2,4-diamine
- IUPAC
- 5-(4-aminophenyl)thieno[2,3-d]pyrimidine-2,4-diamine
Names & synonyms
SCHEMBL4488766CEHGGRYJORPKMB-UHFFFAOYSA-N5-(4-aminophenyl)thieno[2,3-d]pyrimidine-2,4-diamine
Database identifiers
- PubChem CID
- 69062997
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 132 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 294
Related reactions
1 records
Compound notes
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