Isobutyl 4-(6-chloropyrimidin-4-yl)piperazine-1-carboxylate

HCID 58857066
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Basic information

Standard SMILES
CC(C)COC(=O)N1CCN(c2cc(Cl)ncn2)CC1
InChIKey
DAFCINXRUISTAP-UHFFFAOYSA-N
Molecular formula
C13H19ClN4O2
Average molar mass
298.77 g/mol

Names & identifiers

Preferred name
Isobutyl 4-(6-chloropyrimidin-4-yl)piperazine-1-carboxylate
IUPAC
2-methylpropyl 4-(6-chloropyrimidin-4-yl)piperazine-1-carboxylate

Names & synonyms

isobutyl 4-(6-chloropyrimidin-4-yl)piperazine-1-carboxylate914263-18-6SCHEMBL3530997DAFCINXRUISTAP-UHFFFAOYSA-NDB-308132

Database identifiers

PubChem CID
58857066

Properties

Computed structural properties

XLogP
2.6
Topological polar surface area
58.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
4
Heavy atoms
20

Related reactions

4 records
New reaction record

Compound notes

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