Basic information
- Standard SMILES
Cc1ccc(C(C)C)cc1OCc1c(C)nc(Cl)nc1N1CCN(C(=O)OC(C)(C)C)CC1- InChIKey
JRVJXBSPGOMLII-UHFFFAOYSA-N- Molecular formula
- C25H35ClN4O3
- Average molar mass
- 475 g/mol
Names & identifiers
- Preferred name
- 4-[2-Chloro-5-(5-isopropyl-2-methyl-phenoxymethyl)-6-methyl-pyrimidin-4-yl]-piperazine-1-carboxylic acid tert-butyl ester
- IUPAC
- tert-butyl 4-[2-chloro-6-methyl-5-[(2-methyl-5-propan-2-ylphenoxy)methyl]pyrimidin-4-yl]piperazine-1-carboxylate
Names & synonyms
SCHEMBL63584JRVJXBSPGOMLII-UHFFFAOYSA-N4-[2-chloro-5-(5-isopropyl-2-methyl-phenoxymethyl)-6-methyl-pyrimidin-4-yl]-piperazine-1-carboxylic acid tert-butyl ester
Database identifiers
- PubChem CID
- 57531395
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 67.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 636
Related reactions
8 records
Compound notes
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