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

5-(3-Fluoro-4-methoxyphenyl)pyrimidin-2-amine

HCID 57445392
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
COc1ccc(-c2cnc(N)nc2)cc1F
InChIKey
CXSLUBALBJQAED-UHFFFAOYSA-N
Molecular formula
C11H10FN3O
Average molar mass
219.21 g/mol

Names & identifiers

Preferred name
5-(3-Fluoro-4-methoxyphenyl)pyrimidin-2-amine
IUPAC
5-(3-fluoro-4-methoxyphenyl)pyrimidin-2-amine

Names & synonyms

SCHEMBL2855768CXSLUBALBJQAED-UHFFFAOYSA-NAKOS0175614405-(3-fluoro-4-methoxyphenyl)pyrimidin-2-amineZ1509463516

Database identifiers

PubChem CID
57445392

Properties

Computed structural properties

XLogP
1.6
Topological polar surface area
61 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
2
Heavy atoms
16
Formal charge
0
Complexity
221

Related reactions

4 records
New reaction record
HRID 168263 reaction equation
HRID 168263As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 837950 reaction equation
HRID 837950As reactantTest data from https://doi.org/10.1039/C8SC04228D
HRID 1993352 reaction equation
HRID 1993352As productuspto-grants-2010_01
HRID 1993353 reaction equation
HRID 1993353As reactantuspto-grants-2010_01

Compound notes

Loading…

On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes