Basic information
- CAS
343218-96-2- Standard SMILES
CSc1nc(C)c(CN2CCCCC2)c(=O)[nH]1- InChIKey
BRBQHAALAXFSBL-UHFFFAOYSA-N- Molecular formula
- C12H19N3OS
- Average molar mass
- 253.37 g/mol
- Monoisotopic mass
- 253.12488341
Names & identifiers
- Preferred name
- 6-Methyl-2-methylsulfanyl-5-piperidin-1-ylmethyl-pyrimidin-4-ol
- IUPAC
- 4-methyl-2-methylsulfanyl-5-(piperidin-1-ylmethyl)-1H-pyrimidin-6-one
- English name
- 6-Methyl-2-methylsulfanyl-5-piperidin-1-ylmethyl-pyrimidin-4-ol
- Molecular formula
- C12H19N3OS
- Molecular weight
- 253.36
Names & synonyms
343218-96-26-Methyl-2-(methylthio)-5-(piperidin-1-ylmethyl)pyrimidin-4-ol6-Methyl-2-methylsulfanyl-5-piperidin-1-ylmethyl-pyrimidin-4-ol6-methyl-2-(methylsulfanyl)-5-[(piperidin-1-yl)methyl]pyrimidin-4-olDTXSID605054456-methyl-2-(methylsulfanyl)-5-(piperidin-1-ylmethyl)pyrimidin-4-olMFCD06762703AKOS022104167AKOS022507210NS-03815DB-2639436-methyl-2-methylsulfanyl-5-(1-piperidylmethyl)-1H-pyrimidin-4-one
Show more names
6-methyl-2-methylsulfanyl-5-piperidinomethyl-3H-pyrimidin-4-one6-METHYL-2-(METHYLSULFANYL)-5-(1-PIPERIDINYLMETHYL)-4-PYRIMIDINOL4(3H)-Pyrimidinone, 6-methyl-2-(methylthio)-5-(1-piperidinylmethyl)-
4-methyl-2-methylsulfanyl-5-(piperidin-1-ylmethyl)-1H-pyrimidin-6-one6-Methyl-2-(methylsulfanyl)-5-[(piperidin-1-yl)methyl]pyrimidin-4(1H)-one
Database identifiers
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 70 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 370
Chemistry & industry
Suppliers2 total
OTAVA-BB[email protected]
PRINCETON[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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