Basic information
- CAS
81261-69-0- Standard SMILES
Cc1cc(C)nc(Nc2ccccc2Br)n1- InChIKey
AZYVWDBJBZWCIQ-UHFFFAOYSA-N- Molecular formula
- C12H12BrN3
- Average molar mass
- 278.15 g/mol
- Monoisotopic mass
- 277.02146
Names & identifiers
- Preferred name
- N-(2-bromophenyl)-4,6-dimethyl-2-pyrimidinamine
- IUPAC
- N-(2-bromophenyl)-4,6-dimethylpyrimidin-2-amine
- English name
- N-(2-bromophenyl)-4,6-dimethyl-2-pyrimidinamine
- Molecular formula
- C12H12BrN3
- Molecular weight
- 278.14778
Names & synonyms
MLS000068050N-(2-bromophenyl)-4,6-dimethyl-2-pyrimidinamine(2-Bromo-phenyl)-(4,6-dimethyl-pyrimidin-2-yl)-amineSMR000010021N-(2-bromophenyl)-4,6-dimethylpyrimidin-2-amineChemDiv2_003571cid_655149CHEMBL1405434BDBM33501HMS1379C07HMS2428N06AKOS000565168
Show more names
CCG-105752IDI1_002286EU-0070548ST50246324(4,6-dimethylpyrimidin-2-yl)(2-bromophenyl)amineAG-690/13701269SR-01000424217(2-bromophenyl)-(4,6-dimethylpyrimidin-2-yl)amine
Database identifiers
- CAS
81261-69-0- PubChem CID
- 655149
- ChEMBL
CHEMBL1405434- EC Number
- 114-172-0
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 37.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 214
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Chemistry & industry
Suppliers2 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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