2-Chloro-5-(3,4-dimethoxyphenyl)pyrimidine

HCID 3486989
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
COc1ccc(-c2cnc(Cl)nc2)cc1OC
InChIKey
RDMNYPLXDBCPFB-UHFFFAOYSA-N
Molecular formula
C12H11ClN2O2
Average molar mass
250.68 g/mol
Monoisotopic mass
250.0509053

Names & identifiers

Preferred name
2-Chloro-5-(3,4-dimethoxyphenyl)pyrimidine
IUPAC
2-chloro-5-(3,4-dimethoxyphenyl)pyrimidine

Names & synonyms

2-chloro-5-(3,4-dimethoxyphenyl)pyrimidine76972-10-6SCHEMBL3769943RDMNYPLXDBCPFB-UHFFFAOYSA-NAKOS015916847DB-0898542-chloro-5-(3,4-dimethoxylphenyl)pyrimidine2-chloro-5-(3,4-dimethoxyphenyl)-pyrimidine

Database identifiers

PubChem CID
3486989

Properties

Computed structural properties

XLogP
2.7
Topological polar surface area
44.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
3
Heavy atoms
17

Related reactions

5 records
New reaction record

Compound notes

Loading…