5-Bromo-4-[(2-chlorophenyl)methylsulfanyl]-6-methylpyrimidin-2-amine
Basic information
- CAS
6299-29-2- Standard SMILES
Cc1nc(N)nc(SCc2ccccc2Cl)c1Br- InChIKey
QMAIACGEPXIEEI-UHFFFAOYSA-N- Molecular formula
- C12H11BrClN3S
- Average molar mass
- 344.66 g/mol
- Monoisotopic mass
- 342.95456
Names & identifiers
- Preferred name
- 5-Bromo-4-[(2-chlorophenyl)methylsulfanyl]-6-methylpyrimidin-2-amine
- IUPAC
- 5-bromo-4-[(2-chlorophenyl)methylsulfanyl]-6-methylpyrimidin-2-amine
- English name
- 5-bromo-4-[(2-chlorophenyl)methylsulfanyl]-6-methyl-pyrimidin-2-amine
- Molecular formula
- C12H11BrClN3S
- Molecular weight
- 344.66
Names & synonyms
6299-29-25-bromo-4-[(2-chlorophenyl)methylsulfanyl]-6-methylpyrimidin-2-amineNSC44564DTXSID70286278NSC-445645-Bromo-4-{[(2-chlorophenyl)methyl]sulfanyl}-6-methylpyrimidin-2-amine2-Pyrimidinamine, 5-bromo-4-[[(2-chlorophenyl)methyl]thio]-6-methyl-5-bromo-4-[(2-chlorophenyl)methylsulfanyl]-6-methyl-pyrimidin-2-amine
Database identifiers
- CAS
6299-29-2- PubChem CID
- 239471
- DTXSID
DTXSID70286278
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 77.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 272
Physicochemical properties
- Boiling point
- 500 · 500.0±55.0 °C(Predicted)
- Density
- 1 · 1+-.0.1 g/cm3(Predicted)
- pka
- 2.5 · 2.50±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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