Basic information
- Standard SMILES
CCN(CC)CCCNc1ncc2cc(-c3c(Cl)cccc3Cl)c(NC(=O)NC(C)(C)C)nc2n1- InChIKey
ULIJLYCJYRQKBG-UHFFFAOYSA-N- Molecular formula
- C25H33Cl2N7O
- Average molar mass
- 518.5 g/mol
Names & identifiers
- Preferred name
- 3-Tert-butyl-1-[6-(2,6-dichlorophenyl)-2-{[3-(diethylamino)propyl]amino}pyrido[2,3-d]pyrimidin-7-yl]urea
- IUPAC
- 1-tert-butyl-3-[6-(2,6-dichlorophenyl)-2-[3-(diethylamino)propylamino]pyrido[2,3-d]pyrimidin-7-yl]urea
Names & synonyms
CHEMBL2990266-arylpyrido[2,3-d]pyrimidine deriv. 13SCHEMBL145351BDBM3431ULIJLYCJYRQKBG-UHFFFAOYSA-N3-tert-butyl-1-[6-(2,6-dichlorophenyl)-2-{[3-(diethylamino)propyl]amino}pyrido[2,3-d]pyrimidin-7-yl]urea1-tert-butyl-3-[6-(2,6-dichlorophenyl)-2-(3-diethylamino-propylamino)-pyrido[2,3-d]pyrimidin-7-yl]-urea
Database identifiers
- PubChem CID
- 5328115
- ChEMBL
CHEMBL299026- Nikkaji
- J864.918I
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 95.1 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 10
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 650
Related reactions
3 records
Linked notes
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