2-(Pentylsulfanyl)pyrimidin-4-amine
Basic information
- CAS
60722-69-2- Standard SMILES
CCCCCSc1nccc(N)n1- InChIKey
YDXNHJSCPMFPQC-UHFFFAOYSA-N- Molecular formula
- C9H15N3S
- Average molar mass
- 197.3 g/mol
- Monoisotopic mass
- 197.09866866
Names & identifiers
- Preferred name
- 2-(Pentylsulfanyl)pyrimidin-4-amine
- IUPAC
- 2-pentylsulfanylpyrimidin-4-amine
Names & synonyms
60722-69-22-(Pentylsulfanyl)pyrimidin-4-amineNSC210411CHEMBL3273653DTXSID60308933NSC-210411
Database identifiers
- CAS
60722-69-2- PubChem CID
- 308588
- DTXSID
DTXSID60308933- ChEMBL
CHEMBL3273653
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 77.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 132
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Compound notes
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