(S)-3-[4-amino-5-(5-fluoro-2-methoxy-benzoyl)-pyrimidin-2-ylamino]-pyrrolidine-1-carboxylic acid tert-butyl ester

HCID 58777617
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Basic information

Standard SMILES
COc1ccc(F)cc1C(=O)c1cnc(N[C@H]2CCN(C(=O)OC(C)(C)C)C2)nc1N
InChIKey
RLFYXBBFMZYVSL-ZDUSSCGKSA-N
Molecular formula
C21H26FN5O4
Average molar mass
431.5 g/mol
Monoisotopic mass
431.19688249

Names & identifiers

Preferred name
(S)-3-[4-amino-5-(5-fluoro-2-methoxy-benzoyl)-pyrimidin-2-ylamino]-pyrrolidine-1-carboxylic acid tert-butyl ester
IUPAC
tert-butyl (3S)-3-[[4-amino-5-(5-fluoro-2-methoxybenzoyl)pyrimidin-2-yl]amino]pyrrolidine-1-carboxylate

Names & synonyms

SCHEMBL4354410RLFYXBBFMZYVSL-ZDUSSCGKSA-N(S)-3-[4-amino-5-(5-fluoro-2-methoxy-benzoyl)-pyrimidin-2-ylamino]-pyrrolidine-1-carboxylic acid tert-butyl ester

Database identifiers

PubChem CID
58777617

Properties

Computed structural properties

XLogP
3.2
Topological polar surface area
120 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
9
Rotatable bonds
7
Heavy atoms
31

Related reactions

2 records
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Compound notes

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