6-Ethyl-2-methylsulfanyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
Basic information
- CAS
1442-26-8- Standard SMILES
CCN1CCc2nc(SC)[nH]c(=O)c2C1- InChIKey
JFGJEKMKTXULGJ-UHFFFAOYSA-N- Molecular formula
- C10H15N3OS
- Average molar mass
- 225.31 g/mol
- Monoisotopic mass
- 225.09358328
Names & identifiers
- Preferred name
- 6-Ethyl-2-methylsulfanyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
- IUPAC
- 6-ethyl-2-methylsulfanyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
Names & synonyms
NSC5259731442-26-8DTXSID70326249NSC-525973DS-0123706-Ethyl-2-(methylsulfanyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4(1H)-onePYRIDO[4,3-D]PYRIMIDIN-4(3H)-ONE,6-ETHYL-5,6,7,8-TETRAHYDRO-2-(METHYLTHIO)-
Database identifiers
- CAS
1442-26-8- PubChem CID
- 135455331
- DTXSID
DTXSID70326249
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 70 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 349
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Compound notes
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