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

1-[2-[1-(4-Fluorophenyl)ethylamino]-6-(pyrazin-2-ylamino)pyrimidin-4-yl]pyrazole-4-carboxylic acid

HCID 46865249
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CC(Nc1nc(Nc2cnccn2)cc(-n2cc(C(=O)O)cn2)n1)c1ccc(F)cc1
InChIKey
SGJPQJXDJVJPPS-UHFFFAOYSA-N
Molecular formula
C20H17FN8O2
Average molar mass
420.4 g/mol

Names & identifiers

Preferred name
1-[2-[1-(4-Fluorophenyl)ethylamino]-6-(pyrazin-2-ylamino)pyrimidin-4-yl]pyrazole-4-carboxylic acid
IUPAC
1-[2-[1-(4-fluorophenyl)ethylamino]-6-(pyrazin-2-ylamino)pyrimidin-4-yl]pyrazole-4-carboxylic acid

Names & synonyms

SCHEMBL1368497

Database identifiers

PubChem CID
46865249

Properties

Computed structural properties

XLogP
2.4
Topological polar surface area
131 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
10
Rotatable bonds
7
Heavy atoms
31
Formal charge
0
Complexity
594

Related reactions

1 records
New reaction record
HRID 676315 reaction equation
HRID 676315As productTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

Compound notes

Loading…

On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes