HomeMCPWorkbenchSkills
HomeWorkbenchNotificationsMe
Huagongshe Open Program：[email protected]AI access: llms.txt · MCP GuidePrivacy Policy · Terms of Service · Supportv1.7.8
  1. Home
  2. /Compound

4-Chloro-2-methoxy-6-(3-methoxy-phenyl)-pyrimidine

HCID 57636038
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
COc1cccc(-c2cc(Cl)nc(OC)n2)c1
InChIKey
MJBHOSAILFDIOH-UHFFFAOYSA-N
Molecular formula
C12H11ClN2O2
Average molar mass
250.68 g/mol

Names & identifiers

Preferred name
4-Chloro-2-methoxy-6-(3-methoxy-phenyl)-pyrimidine
IUPAC
4-chloro-2-methoxy-6-(3-methoxyphenyl)pyrimidine

Names & synonyms

885067-23-24-chloro-2-methoxy-6-(3-methoxy-phenyl)-pyrimidineSCHEMBL4510799MJBHOSAILFDIOH-UHFFFAOYSA-NDA-39682

Database identifiers

PubChem CID
57636038

Properties

Computed structural properties

XLogP
3.1
Topological polar surface area
44.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
3
Heavy atoms
17
Formal charge
0
Complexity
243

Related reactions

6 records
New reaction record
HRID 216134 reaction equation
HRID 216134As reactantuspto-grants-2012_06
HRID 216154 reaction equation
HRID 216154As reactantuspto-grants-2012_06
HRID 1118139 reaction equation
HRID 1118139As reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)
HRID 1546203 reaction equation
HRID 1546203As reactantTraining data from https://doi.org/10.1039/C8SC04228D (1/10)
HRID 2110661 reaction equation
HRID 2110661As reactantuspto-grants-2009_04
HRID 2110682 reaction equation
HRID 2110682As reactantuspto-grants-2009_04

Compound notes

Loading…

On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes