Basic information
- CAS
154496-64-7- Standard SMILES
Cc1cc(N2CCOCC2)nc(SC(C)C)n1- InChIKey
BMTDLTSXPWPKTK-UHFFFAOYSA-N- Molecular formula
- C12H19N3OS
- Average molar mass
- 253.37 g/mol
- Monoisotopic mass
- 253.12488341
Names & identifiers
- Preferred name
- Morpholine, 4-(6-methyl-2-((1-methylethyl)thio)-4-pyrimidinyl)-
- IUPAC
- 4-(6-methyl-2-propan-2-ylsulfanylpyrimidin-4-yl)morpholine
Names & synonyms
Morpholine, 4-(6-methyl-2-((1-methylethyl)thio)-4-pyrimidinyl)-4-(6-Methyl-2-((1-methylethyl)thio)-4-pyrimidinyl)morpholine154496-64-7DTXSID40165642RefChem:357816DTXCID4088133Oprea1_2293734-{6-Methyl-2-[(propan-2-yl)sulfanyl]pyrimidin-4-yl}morpholine
Database identifiers
- CAS
154496-64-7- PubChem CID
- 3074005
- DTXSID
DTXSID40165642
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 234
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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