Basic information
- Standard SMILES
C[C@H](Nc1cc(C(=O)OC(C)(C)C)nc(-c2ccc(Oc3ccc(F)cc3)cc2)n1)C(N)=O- InChIKey
DDPXVSBGIRRKPI-AWEZNQCLSA-N- Molecular formula
- C24H25FN4O4
- Average molar mass
- 452.5 g/mol
Names & identifiers
- Preferred name
- (S)-tert-butyl 6-((1-amino-1-oxopropan-2-yl)amino)-2-(4-(4-fluorophenoxy)phenyl)pyrimidine-4-carboxylate
- IUPAC
- tert-butyl 6-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-2-[4-(4-fluorophenoxy)phenyl]pyrimidine-4-carboxylate
Names & synonyms
CHEMBL3927174SCHEMBL14743327DDPXVSBGIRRKPI-AWEZNQCLSA-NBDBM185945US9163008, 34(S)-tert-butyl 6-((1-amino-1-oxopropan-2-yl)-amino)-2-(4-(4-fluorophenoxy)phenyl)pyrimidine-4-carboxylate(S)-tert-butyl 6-((1-amino-1-oxopropan-2-yl)amino)-2-(4-(4-fluorophenoxy)phenyl)pyrimidine-4-carboxylate
Database identifiers
- PubChem CID
- 71283307
- ChEMBL
CHEMBL3927174
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 9
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 657
Related reactions
2 records
Compound notes
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