Ethyl 4-((1-(tert-butoxycarbonyl)pyrrolidin-3-yl)methylamino)-2-chloropyrimidine-5-carboxylate

HCID 58098693
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Basic information

Standard SMILES
CCOC(=O)c1cnc(Cl)nc1NCC1CCN(C(=O)OC(C)(C)C)C1
InChIKey
ZFJODZAPKYVVED-UHFFFAOYSA-N
Molecular formula
C17H25ClN4O4
Average molar mass
384.9 g/mol

Names & identifiers

Preferred name
Ethyl 4-((1-(tert-butoxycarbonyl)pyrrolidin-3-yl)methylamino)-2-chloropyrimidine-5-carboxylate
IUPAC
ethyl 2-chloro-4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]methylamino]pyrimidine-5-carboxylate

Names & synonyms

SCHEMBL913985ZFJODZAPKYVVED-UHFFFAOYSA-Nethyl 4-((1-(tert-butoxycarbonyl)pyrrolidin-3-yl)methylamino)-2-chloropyrimidine-5-carboxylate

Database identifiers

PubChem CID
58098693

Properties

Computed structural properties

XLogP
3.5
Topological polar surface area
93.7 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
7
Rotatable bonds
8
Heavy atoms
26

Related reactions

6 records
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Compound notes

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