Home
MCP
Workbench
Skills
More
English
English
Home
Workbench
Notifications
Me
2-Chloro-5-(2,2-diethoxyethoxy)pyrimidine (HCID 86645897)|Huagongshe
Home
/
Compound
2-Chloro-5-(2,2-diethoxyethoxy)pyrimidine
HCID
86645897
Save
Notes
Reactions
Basic information
Names & identifiers
Properties
Related reactions
Compound notes
Substructure search
Find similar structures
Basic information
Standard SMILES
CCOC(COc1cnc(Cl)nc1)OCC
InChIKey
JYSFMTQGOYSAFH-UHFFFAOYSA-N
Molecular formula
C10H15ClN2O3
Average molar mass
246.69 g/mol
Names & identifiers
Preferred name
2-Chloro-5-(2,2-diethoxyethoxy)pyrimidine
IUPAC
2-chloro-5-(2,2-diethoxyethoxy)pyrimidine
Names & synonyms
SCHEMBL2884446
JYSFMTQGOYSAFH-UHFFFAOYSA-N
2-chloro-5-(2,2-diethoxyethoxy)pyrimidine
Database identifiers
PubChem CID
86645897
Properties
Computed structural properties
XLogP
1.7
Topological polar surface area
53.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
7
Heavy atoms
16
Formal charge
0
Complexity
171
Show all 8
Show all 8 / 8
Related reactions
5 records
New reaction record
All
As reactant
As product
As reagent
As catalyst
As solvent
HRID
81629
As product
uspto-grants-2014_09
HRID
81630
As reactant
uspto-grants-2014_09
HRID
1517268
As product
uspto-grants-2012_07
HRID
1517269
As reactant
uspto-grants-2012_07
HRID
2335182
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Show 1 more
Compound notes
Loading…