tert-butyl 2-[2-amino-6-(2,6-dichlorophenyl)-7-oxo-7H,8H-pyrido[2,3-d]pyrimidin-8-yl]acetate
Basic information
- Standard SMILES
CC(C)(C)OC(=O)Cn1c(=O)c(-c2c(Cl)cccc2Cl)cc2cnc(N)nc21- InChIKey
FFTAUNHOICDGAW-UHFFFAOYSA-N- Molecular formula
- C19H18Cl2N4O3
- Average molar mass
- 421.3 g/mol
Names & identifiers
- Preferred name
- tert-butyl 2-[2-amino-6-(2,6-dichlorophenyl)-7-oxo-7H,8H-pyrido[2,3-d]pyrimidin-8-yl]acetate
- IUPAC
- tert-butyl 2-[2-amino-6-(2,6-dichlorophenyl)-7-oxopyrido[2,3-d]pyrimidin-8-yl]acetate
Names & synonyms
pyrido[2,3-d]pyrimidin-7-one deriv. 10BDBM4055CHEMBL138994SCHEMBL5762124FFTAUNHOICDGAW-UHFFFAOYSA-Ntert-butyl 2-[2-amino-6-(2,6-dichlorophenyl)-7-oxo-7H,8H-pyrido[2,3-d]pyrimidin-8-yl]acetate[2-amino-6-(2,6-dichlorophenyl)-7-oxo-7H-pyrido[2,3-d]pyrimidin-8-yl]-acetic acid tert-butyl ester[2-Amino-6-(2,6-dichlorophenyl)-7-oxo-7H-pyrido[2,3-d]pyrimidin-8-yl]acetic acid tert-butyl ester
Database identifiers
- PubChem CID
- 5328630
- ChEMBL
CHEMBL138994- Nikkaji
- J1.028.064H
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 98.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 642
Related reactions
4 records
Compound notes
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