6-Chloro-5-(2-methoxyvinyl)pyrimidin-4-ylamine

HCID 72279354
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Basic information

Standard SMILES
COC=Cc1c(N)ncnc1Cl
InChIKey
JLTOEABHOGMVTH-UHFFFAOYSA-N
Molecular formula
C7H8ClN3O
Average molar mass
185.61 g/mol
Monoisotopic mass
185.0355896

Names & identifiers

Preferred name
6-Chloro-5-(2-methoxyvinyl)pyrimidin-4-ylamine
IUPAC
6-chloro-5-(2-methoxyethenyl)pyrimidin-4-amine

Names & synonyms

Ruxolitinib Impurity 141SCHEMBL2998788JLTOEABHOGMVTH-UHFFFAOYSA-NDB-1005776-chloro-5-(2-methoxyvinyl)pyrimidin-4-amine6-Chloro-5-(2-methoxyvinyl)pyrimidin-4-ylamine

Database identifiers

PubChem CID
72279354

Properties

Computed structural properties

XLogP
1.2
Topological polar surface area
61 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
2
Heavy atoms
12

Related reactions

6 records
New reaction record

Linked notes

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