4-chloro-N-(2,6-dimethoxypyrimidin-4-yl)benzamide
Basic information
- CAS
3959-36-2- Standard SMILES
COc1cc(NC(=O)c2ccc(Cl)cc2)nc(OC)n1- InChIKey
ZKDKGRZDSREORA-UHFFFAOYSA-N- Molecular formula
- C13H12ClN3O3
- Average molar mass
- 293.7 g/mol
- Monoisotopic mass
- 293.0567189
Names & identifiers
- Preferred name
- 4-chloro-N-(2,6-dimethoxypyrimidin-4-yl)benzamide
- IUPAC
- 4-chloro-N-(2,6-dimethoxypyrimidin-4-yl)benzamide
Names & synonyms
4-chloro-N-(2,6-dimethoxy-4-pyrimidinyl)benzamideZINC758894-chloro-N-(2,6-dimethoxypyrimidin-4-yl)benzamideZINC00075889Oprea1_241863Oprea1_6725703959-36-2MFCD01122017STK097515AKOS000487705CCG-112066COc1nc(OC)nc(c1)NC(=O)c1ccc(cc1)Cl
Show more names
ST027882ZINC000000075889EU-00450034CHLORON(26DIMETHOXYPYRIMIDIN4YL)BENZAMIDEAG-690/11662166SR-01000493653SR-01000493653-1COC1=NC(=NC(=C1)NC(=O)C2=CC=C(C=C2)Cl)OC
Database identifiers
- CAS
3959-36-2- PubChem CID
- 698519
- EC Number
- 134-020-7
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 73.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 324
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
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, 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%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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