Basic information
- CAS
92847-29-5- Standard SMILES
CS(=O)(=O)c1cc(Nc2ccc(Br)cc2)ncn1- InChIKey
WIBVMHBUKZMPEZ-UHFFFAOYSA-N- Molecular formula
- C11H10BrN3O2S
- Average molar mass
- 328.19 g/mol
- Monoisotopic mass
- 326.96771
Names & identifiers
- Preferred name
- N-(4-Bromophenyl)-6-(methanesulfonyl)pyrimidin-4-amine
- IUPAC
- N-(4-bromophenyl)-6-methylsulfonylpyrimidin-4-amine
Names & synonyms
92847-29-5DTXSID80291959N-(4-Bromophenyl)-6-(methanesulfonyl)pyrimidin-4-amineRefChem:361798DTXCID90243101NSC79294CHEMBL178095NSC-79294DS-011594N-(4-BROMOPHENYL)-6-METHYLSULFONYL-PYRIMIDIN-4-AMINE
Database identifiers
- CAS
92847-29-5- PubChem CID
- 254752
- DTXSID
DTXSID80291959- ChEMBL
CHEMBL178095
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 80.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 363
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…