4-(3-Chloro-4-methoxybenzylamino)-5-methoxycarbonyl-6-chloro-2-(4-hydroxypiperidin-1-yl)pyrimidine
Basic information
- Standard SMILES
COC(=O)c1c(Cl)nc(N2CCC(O)CC2)nc1NCc1ccc(OC)c(Cl)c1- InChIKey
NJUWNBRJTKEAKR-UHFFFAOYSA-N- Molecular formula
- C19H22Cl2N4O4
- Average molar mass
- 441.3 g/mol
Names & identifiers
- Preferred name
- 4-(3-Chloro-4-methoxybenzylamino)-5-methoxycarbonyl-6-chloro-2-(4-hydroxypiperidin-1-yl)pyrimidine
- IUPAC
- methyl 4-chloro-6-[(3-chloro-4-methoxyphenyl)methylamino]-2-(4-hydroxypiperidin-1-yl)pyrimidine-5-carboxylate
Names & synonyms
SCHEMBL4975590NJUWNBRJTKEAKR-UHFFFAOYSA-N4-(3-chloro-4-methoxybenzylamino)-5-methoxycarbonyl-6-chloro-2-(4-hydroxypiperidin-1-yl)pyrimidine
Database identifiers
- PubChem CID
- 17848263
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 96.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 538
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
6 records
Compound notes
Loading…