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(5-Azidomethyl-2-chloro-pyrimidin-4-yl)-(2,2-dimethyl-propyl)-amine

HCID 21941878
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CC(C)(C)CNc1nc(Cl)ncc1CN=[N+]=[N-]
InChIKey
VIAPXZXEMGTDPR-UHFFFAOYSA-N
Molecular formula
C10H15ClN6
Average molar mass
254.72 g/mol
Monoisotopic mass
254.1046722

Names & identifiers

Preferred name
(5-Azidomethyl-2-chloro-pyrimidin-4-yl)-(2,2-dimethyl-propyl)-amine
IUPAC
5-(azidomethyl)-2-chloro-N-(2,2-dimethylpropyl)pyrimidin-4-amine

Names & synonyms

VIAPXZXEMGTDPR-UHFFFAOYSA-N(5-azidomethyl-2-chloro-pyrimidin-4-yl)-(2,2-dimethyl-propyl)-amine

Database identifiers

PubChem CID
21941878

Properties

Computed structural properties

XLogP
4.1
Topological polar surface area
52.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
5
Heavy atoms
17
Formal charge
0
Complexity
283

Related reactions

3 records
New reaction record
HRID 1132571 reaction equation
HRID 1132571As productTraining data from https://doi.org/10.1039/C8SC04228D (7/10)
HRID 2216278 reaction equation
HRID 2216278As productuspto-grants-2006_09
HRID 2216279 reaction equation
HRID 2216279As reactantuspto-grants-2006_09

Compound notes

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