Tert-butyl 3-[5-amino-6-({3-methyl-4-[(6-methylpyridin-3-yl)oxy]phenyl}amino)pyrimidin-4-yl]-2-propynylcarbamate
Basic information
- Standard SMILES
Cc1ccc(Oc2ccc(Nc3ncnc(C#CCNC(=O)OC(C)(C)C)c3N)cc2C)cn1- InChIKey
BOZZJXCVQCWHCB-UHFFFAOYSA-N- Molecular formula
- C25H28N6O3
- Average molar mass
- 460.5 g/mol
Names & identifiers
- Preferred name
- Tert-butyl 3-[5-amino-6-({3-methyl-4-[(6-methylpyridin-3-yl)oxy]phenyl}amino)pyrimidin-4-yl]-2-propynylcarbamate
- IUPAC
- tert-butyl N-[3-[5-amino-6-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]pyrimidin-4-yl]prop-2-ynyl]carbamate
Names & synonyms
SCHEMBL2748137BOZZJXCVQCWHCB-UHFFFAOYSA-Ntert-butyl 3-[5-amino-6-({3-methyl-4-[(6-methylpyridin-3-yl)oxy]phenyl}amino)pyrimidin-4-yl]-2-propynylcarbamate
Database identifiers
- PubChem CID
- 67520587
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 124 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 8
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 729
Related reactions
3 records
Compound notes
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