Basic information
- Standard SMILES
CCOC(=O)CCCSc1nccc(N)n1- InChIKey
VNQUMYYSIROBHD-UHFFFAOYSA-N- Molecular formula
- C10H15N3O2S
- Average molar mass
- 241.31 g/mol
Names & identifiers
- Preferred name
- 4-Amino-2-(3-ethoxycarbonylpropylthio)pyrimidine
- IUPAC
- ethyl 4-(4-aminopyrimidin-2-yl)sulfanylbutanoate
Names & synonyms
SCHEMBL7841843VNQUMYYSIROBHD-UHFFFAOYSA-N4-amino-2-(3-ethoxycarbonylpropylthio)pyrimidine4-amino-2-(3-ethoxycarbonylpropylthio) pyrimidine
Database identifiers
- PubChem CID
- 18936784
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 216
Related reactions
2 records
Compound notes
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