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1,1-Dimethylethyl 2-(2,6-dichloro-5-fluoro-4-pyrimidinyl)hydrazinecarboxylate

HCID 86636915
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CC(C)(C)OC(=O)NNc1nc(Cl)nc(Cl)c1F
InChIKey
UFNFMEFMKPVVFZ-UHFFFAOYSA-N
Molecular formula
C9H11Cl2FN4O2
Average molar mass
297.11 g/mol

Names & identifiers

Preferred name
1,1-Dimethylethyl 2-(2,6-dichloro-5-fluoro-4-pyrimidinyl)hydrazinecarboxylate
IUPAC
tert-butyl N-[(2,6-dichloro-5-fluoropyrimidin-4-yl)amino]carbamate

Names & synonyms

SCHEMBL1190397UFNFMEFMKPVVFZ-UHFFFAOYSA-N1,1-Dimethylethyl 2-(2,6-dichloro-5-fluoro-4-pyrimidinyl)hydrazinecarboxylate

Database identifiers

PubChem CID
86636915

Properties

Computed structural properties

XLogP
3.4
Topological polar surface area
76.1 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
6
Rotatable bonds
4
Heavy atoms
18
Formal charge
0
Complexity
303

Related reactions

2 records
New reaction record
HRID 1125311 reaction equation
HRID 1125311As productTraining data from https://doi.org/10.1039/C8SC04228D (7/10)
HRID 1366383 reaction equation
HRID 1366383As productuspto-grants-2011_02

Compound notes

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