Methyl 4-((2-amino-4-chloro-6-methylpyrimidin-5-yl)methyl)-3-fluorobenzoate
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Basic information
- Standard SMILES
COC(=O)c1ccc(Cc2c(C)nc(N)nc2Cl)c(F)c1- InChIKey
FZJSFYSLDFPPIK-UHFFFAOYSA-N- Molecular formula
- C14H13ClFN3O2
- Average molar mass
- 309.72 g/mol
Names & identifiers
- Preferred name
- Methyl 4-((2-amino-4-chloro-6-methylpyrimidin-5-yl)methyl)-3-fluorobenzoate
- IUPAC
- methyl 4-[(2-amino-4-chloro-6-methylpyrimidin-5-yl)methyl]-3-fluorobenzoate
Names & synonyms
Methyl 4-((2-amino-4-chloro-6-methylpyrimidin-5-yl)methyl)-3-fluorobenzoate1158804-18-2SCHEMBL2852426FZJSFYSLDFPPIK-UHFFFAOYSA-NDB-334581
Database identifiers
- PubChem CID
- 86633399
Properties
Computed structural propertiesFilling in
- XLogP
- 3.1
- Topological polar surface area
- 78.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 374
Related reactions
9 records
Compound notes
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