6-allyl-3-benzyloxycarbonylamino-4-oxo-4,6,7,8-tetrahydro-pyrrolo[1,2-a]pyrimidine-6-carboxylic Acid tert-butyl Ester

HCID 69600950

Basic information

Standard SMILES
C=CCC1(C(=O)OC(C)(C)C)CCc2ncc(NC(=O)OCc3ccccc3)c(=O)n21
InChIKey
KYTKIUADBSRLOB-UHFFFAOYSA-N
Molecular formula
C23H27N3O5
Average molar mass
425.5 g/mol

Names & identifiers

Preferred name
6-allyl-3-benzyloxycarbonylamino-4-oxo-4,6,7,8-tetrahydro-pyrrolo[1,2-a]pyrimidine-6-carboxylic Acid tert-butyl Ester
IUPAC
tert-butyl 4-oxo-3-(phenylmethoxycarbonylamino)-6-prop-2-enyl-7,8-dihydropyrrolo[1,2-a]pyrimidine-6-carboxylate

Names & synonyms

SCHEMBL5902533KYTKIUADBSRLOB-UHFFFAOYSA-N6-allyl-3-benzyloxycarbonylamino-4-oxo-4,6,7,8-tetrahydro-pyrrolo[1,2-a]pyrimidine-6-carboxylic Acid tert-butyl Ester

Database identifiers

PubChem CID
69600950

Properties

Computed structural properties

XLogP
2.7
Topological polar surface area
97.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
9
Heavy atoms
31

Related reactions

3 records

Compound notes

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