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(1-{[(2-Chloro-4-pyrimidinyl)oxy]methyl}cyclobutyl)methanol

HCID 11413552
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
OCC1(COc2ccnc(Cl)n2)CCC1
InChIKey
YJNJJXDNOMHUKI-UHFFFAOYSA-N
Molecular formula
C10H13ClN2O2
Average molar mass
228.67 g/mol

Names & identifiers

Preferred name
(1-{[(2-Chloro-4-pyrimidinyl)oxy]methyl}cyclobutyl)methanol
IUPAC
[1-[(2-chloropyrimidin-4-yl)oxymethyl]cyclobutyl]methanol

Names & synonyms

SCHEMBL4896933YJNJJXDNOMHUKI-UHFFFAOYSA-N(1-{[(2-chloro-4-pyrimidinyl)oxy]methyl}cyclobutyl)methanol

Database identifiers

PubChem CID
11413552

Properties

Computed structural properties

XLogP
1.9
Topological polar surface area
55.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
4
Heavy atoms
15
Formal charge
0
Complexity
212

Related reactions

6 records
New reaction record
HRID 691838 reaction equation
HRID 691838As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)
HRID 1180773 reaction equation
HRID 1180773As productuspto-grants-2007_10
HRID 1180774 reaction equation
HRID 1180774As reactantuspto-grants-2007_10
HRID 1180780 reaction equation
HRID 1180780As reactantuspto-grants-2007_10
HRID 1537307 reaction equation
HRID 1537307As reactantTraining data from https://doi.org/10.1039/C8SC04228D (1/10)
HRID 2349371 reaction equation
HRID 2349371As productTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Compound notes

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