Basic information
- Standard SMILES
COC(=O)Cc1c(C)nc(Cc2ccc([N+](=O)[O-])cc2)nc1Cl- InChIKey
YLOSZJHYPWGYEC-UHFFFAOYSA-N- Molecular formula
- C15H14ClN3O4
- Average molar mass
- 335.74 g/mol
- Monoisotopic mass
- 335.0672836
Names & identifiers
- Preferred name
- Methyl [4-chloro-6-methyl-2-(4-nitrobenzyl)pyrimidin-5-yl]acetate
- IUPAC
- methyl 2-[4-chloro-6-methyl-2-[(4-nitrophenyl)methyl]pyrimidin-5-yl]acetate
Names & synonyms
SCHEMBL12569062YLOSZJHYPWGYEC-UHFFFAOYSA-Nmethyl [4-chloro-6-methyl-2-(4-nitrobenzyl)pyrimidin-5-yl]acetatemethyl [4chloro-6-methyl-2-(4-nitrobenzyl)pyrimidin-5-yl]acetatemethyl[4-chloro-6-methyl-2-(4-nitrobenzyl)pyrimidin-5-yl]acetate
Database identifiers
- PubChem CID
- 59514487
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 97.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 423
Related reactions
5 records
Compound notes
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