HomeMCPWorkbenchSkills
HomeWorkbenchNotificationsMe
llms.txt · MCP GuidePrivacy Policy · Terms of Service · Supportv1.8.0
  1. Home
  2. /Compound

2,4-Dichloro-5-(5-isopropyl-2-methyl-phenoxymethyl)-6-methyl-pyrimidine

HCID 57531442
New noteNew reactionRequest quotes
Print preview
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
Cc1ccc(C(C)C)cc1OCc1c(C)nc(Cl)nc1Cl
InChIKey
HSWJXURCXABECX-UHFFFAOYSA-N
Molecular formula
C16H18Cl2N2O
Average molar mass
325.2 g/mol

Names & identifiers

Preferred name
2,4-Dichloro-5-(5-isopropyl-2-methyl-phenoxymethyl)-6-methyl-pyrimidine
IUPAC
2,4-dichloro-6-methyl-5-[(2-methyl-5-propan-2-ylphenoxy)methyl]pyrimidine

Names & synonyms

SCHEMBL63161HSWJXURCXABECX-UHFFFAOYSA-N2,4-dichloro-5-(5-isopropyl-2-methyl-phenoxymethyl)-6-methyl-pyrimidine

Database identifiers

PubChem CID
57531442

Properties

Computed structural properties

XLogP
5.5
Topological polar surface area
35 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
4
Heavy atoms
21
Formal charge
0
Complexity
329

Related reactions

9 records
New reaction record
HRID 675530 reaction equation
HRID 675530As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)
HRID 1091938 reaction equation
HRID 1091938As productuspto-grants-2012_03
HRID 1091939 reaction equation
HRID 1091939As reactantuspto-grants-2012_03
HRID 1091952 reaction equation
HRID 1091952As reactantuspto-grants-2012_03
HRID 1221622 reaction equation
HRID 1221622As reactantTraining data from https://doi.org/10.1039/C8SC04228D (5/10)
HRID 1455756 reaction equation
HRID 1455756As productuspto-grants-2009_01
HRID 1455757 reaction equation
HRID 1455757As reactantuspto-grants-2009_01
HRID 1455770 reaction equation
HRID 1455770As reactantuspto-grants-2009_01
Page 1 of 2

Compound notes

Loading…

On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes
More actions
New noteNew reactionRequest quotes