N-[(4-chlorophenyl)methyl]-6-(methoxymethyl)-2-methylpyrimidin-4-amine
Basic information
- CAS
478043-18-4- Standard SMILES
COCc1cc(NCc2ccc(Cl)cc2)nc(C)n1- InChIKey
DNACRKQTJHILLT-UHFFFAOYSA-N- Molecular formula
- C14H16ClN3O
- Average molar mass
- 277.75 g/mol
- Monoisotopic mass
- 277.0981898
Names & identifiers
- Preferred name
- N-[(4-chlorophenyl)methyl]-6-(methoxymethyl)-2-methylpyrimidin-4-amine
- IUPAC
- N-[(4-chlorophenyl)methyl]-6-(methoxymethyl)-2-methylpyrimidin-4-amine
Names & synonyms
478043-18-4N-[(4-chlorophenyl)methyl]-6-(methoxymethyl)-2-methylpyrimidin-4-amineN-(4-chlorobenzyl)-6-(methoxymethyl)-2-methyl-4-pyrimidinamineOprea1_769175MLS001165562CHEMBL1873640DTXSID201323001HMS2868D14AKOS0050902804M-510SSMR000549857N-(4-chlorobenzyl)-6-(methoxymethyl)-2-methylpyrimidin-4-amine
Database identifiers
- CAS
478043-18-4- PubChem CID
- 1476795
- DTXSID
DTXSID201323001- ChEMBL
CHEMBL1873640
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 47 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 259
Experimental & physicochemical properties
Solubility34.7 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…