5-{[(4-Chlorobenzyl)amino]methyl}-2-methylpyrimidin-4-amine
Basic information
- CAS
20352-44-7- Standard SMILES
Cc1ncc(CNCc2ccc(Cl)cc2)c(N)n1- InChIKey
GKFRMOUSJUBOID-UHFFFAOYSA-N- Molecular formula
- C13H15ClN4
- Average molar mass
- 262.74 g/mol
- Monoisotopic mass
- 262.0985242
Names & identifiers
- Preferred name
- 5-{[(4-Chlorobenzyl)amino]methyl}-2-methylpyrimidin-4-amine
- IUPAC
- 5-[[(4-chlorophenyl)methylamino]methyl]-2-methylpyrimidin-4-amine
Names & synonyms
20352-44-75-{[(4-chlorobenzyl)amino]methyl}-2-methylpyrimidin-4-amine5-(((4-Chlorobenzyl)amino)methyl)-2-methylpyrimidin-4-amineNSC116978DTXSID20297637NSC-1169785-({[(4-CHLOROPHENYL)METHYL]AMINO}METHYL)-2-METHYLPYRIMIDIN-4-AMINE
Database identifiers
- CAS
20352-44-7- PubChem CID
- 272525
- DTXSID
DTXSID20297637
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 63.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 243
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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