Basic information
- Standard SMILES
CCN(CC)CCCCNc1ncc2cc(-c3c(Cl)cccc3Cl)c(NC(=O)NC3CCCCC3)nc2n1- InChIKey
LSALXSOZDWYUQQ-UHFFFAOYSA-N- Molecular formula
- C28H37Cl2N7O
- Average molar mass
- 558.5 g/mol
Names & identifiers
- Preferred name
- 1-Cyclohexyl-3-[6-(2,6-dichlorophenyl)-2-{[4-(diethylamino)butyl]amino}pyrido[2,3-d]pyrimidin-7-yl]urea
- IUPAC
- 1-cyclohexyl-3-[6-(2,6-dichlorophenyl)-2-[4-(diethylamino)butylamino]pyrido[2,3-d]pyrimidin-7-yl]urea
Names & synonyms
6-arylpyrido[2,3-d]pyrimidine deriv. 34SCHEMBL145965BDBM3452CHEMBL293132LSALXSOZDWYUQQ-UHFFFAOYSA-N1-cyclohexyl-3-[6-(2,6-dichlorophenyl)-2-{[4-(diethylamino)butyl]amino}pyrido[2,3-d]pyrimidin-7-yl]urea1-Cyclohexyl-3-[6-(2,6-dichlorophenyl)-2-(4-diethylamino-butylamino)-pyrido[2,3-d]pyrimidin-7-yl]-urea
Database identifiers
- PubChem CID
- 5328136
- ChEMBL
CHEMBL293132- Nikkaji
- J1.564.828G
Properties
Computed structural properties
- XLogP
- 6.6
- Topological polar surface area
- 95.1 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 11
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 699
Related reactions
3 records
Compound notes
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