Basic information
- CAS
60186-82-5- Standard SMILES
CSc1nc(N(C)C)ncc1Br- InChIKey
LNBFHVLNIMBYLV-UHFFFAOYSA-N- Molecular formula
- C7H10BrN3S
- Average molar mass
- 248.15 g/mol
- Monoisotopic mass
- 246.97788
Names & identifiers
- Preferred name
- 2-Pyrimidinamine, 5-bromo-N,N-dimethyl-4-(methylthio)-
- IUPAC
- 5-bromo-N,N-dimethyl-4-methylsulfanylpyrimidin-2-amine
- English name
- 5-Bromo-N,N-dimethyl-4-methylthio-2-pyrimidinamine
- Molecular formula
- C7H10BrN3S
- Molecular weight
- 248.14
Names & synonyms
2-Pyrimidinamine, 5-bromo-N,N-dimethyl-4-(methylthio)-60186-82-5DTXSID40347244RefChem:266700DTXCID702983165-Bromo-N,N-dimethyl-4-methylthio-2-pyrimidinamineLNBFHVLNIMBYLV-UHFFFAOYSA-N5-BROMO-N,N-DIMETHYL-4-(METHYLSULFANYL)PYRIMIDIN-2-AMINEDB-325280N-[5-Bromo-4-(methylsulfanyl)-2-pyrimidinyl]-N,N-dimethylamine #
Database identifiers
- CAS
60186-82-5- PubChem CID
- 619366
- DTXSID
DTXSID40347244- Nikkaji
- J131.931K
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 54.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 145
Physicochemical properties
- Boiling point
- 332.4 · 332.4±52.0 °C(Predicted)
- Density
- 1.56 · 1.56±0.1 g/cm3(Predicted)
- pka
- 3.08 · 3.08±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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