Basic information
- Standard SMILES
CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)c1nc(Cl)nc(NCC(C)(C)N2CCOCC2)c1F- InChIKey
XGKGDFYGCOYLFM-UHFFFAOYSA-N- Molecular formula
- C27H44ClFN6O7
- Average molar mass
- 619.1 g/mol
Names & identifiers
- Preferred name
- Tris(1,1-dimethylethyl) 2-(2-chloro-5-fluoro-6-{[2-methyl-2-(4-morpholinyl)propyl]amino}-4-pyrimidinyl)-1,1,2-hydrazinetricarboxylate
- IUPAC
- tert-butyl N-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-N-[2-chloro-5-fluoro-6-[(2-methyl-2-morpholin-4-ylpropyl)amino]pyrimidin-4-yl]carbamate
Names & synonyms
SCHEMBL1190030XGKGDFYGCOYLFM-UHFFFAOYSA-Ntris(1,1-dimethylethyl) 2-(2-chloro-5-fluoro-6-{[2-methyl-2-(4-morpholinyl)propyl]amino}-4-pyrimidinyl)-1,1,2-hydrazinetricarboxylatetris(1,1-dimethylethyl)2-(2-chloro-5-fluoro-6-{[2-methyl-2-(4-morpholinyl)propyl]amino}-4-pyrimidinyl)-1,1,2-hydrazinetricarboxylate
Database identifiers
- PubChem CID
- 86636980
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 136 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 11
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 919
Related reactions
3 records
Compound notes
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