Basic information
- CAS
524057-40-7- Standard SMILES
Cc1cc(C)nc(N(C#N)Cc2ccc(Cl)cc2)n1- InChIKey
KDGPMCQAHWWJHD-UHFFFAOYSA-N- Molecular formula
- C14H13ClN4
- Average molar mass
- 272.73 g/mol
- Monoisotopic mass
- 272.0828741
Names & identifiers
- Preferred name
- (4-Chlorobenzyl)(4,6-dimethylpyrimidin-2-yl)cyanamide
- IUPAC
- (4-chlorophenyl)methyl-(4,6-dimethylpyrimidin-2-yl)cyanamide
Names & synonyms
524057-40-7(4-chlorobenzyl)(4,6-dimethylpyrimidin-2-yl)cyanamide(4-chlorophenyl)methyl-(4,6-dimethylpyrimidin-2-yl)cyanamideN-[(4-CHLOROPHENYL)METHYL]-N-CYANO-4,6-DIMETHYLPYRIMIDIN-2-AMINE[(4-Chlorophenyl)methyl](4,6-dimethylpyrimidin-2-yl)cyanamideMLS000765254CHEMBL1349966DTXSID301324238HMS2738B10STK102688AKOS000627529SMR000288659
Show more names
ST50106351EN300-26578583Z56895361N-(4-chlorobenzyl)-N-(4,6-dimethylpyrimidin-2-yl)cyanamideamino(4,6-dimethylpyrimidin-2-yl)[(4-chlorophenyl)methyl]carbonitrile
Database identifiers
- CAS
524057-40-7- PubChem CID
- 894261
- DTXSID
DTXSID301324238- ChEMBL
CHEMBL1349966
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 52.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 322
Experimental & physicochemical properties
Solubility21.7 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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