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2,6-dichloro-5-fluoro-N-methyl-N-(4-pyridinylmethyl)-4-pyrimidinamine

HCID 86636971
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
CN(Cc1ccncc1)c1nc(Cl)nc(Cl)c1F
InChIKey
HIURXVNGIBLVDL-UHFFFAOYSA-N
Molecular formula
C11H9Cl2FN4
Average molar mass
287.12 g/mol

Names & identifiers

Preferred name
2,6-dichloro-5-fluoro-N-methyl-N-(4-pyridinylmethyl)-4-pyrimidinamine
IUPAC
2,6-dichloro-5-fluoro-N-methyl-N-(pyridin-4-ylmethyl)pyrimidin-4-amine

Names & synonyms

SCHEMBL1188398HIURXVNGIBLVDL-UHFFFAOYSA-N2,6-dichloro-5-fluoro-N-methyl-N-(4-pyridinylmethyl)-4-pyrimidinamine

Database identifiers

PubChem CID
86636971

Properties

Computed structural properties

XLogP
3.1
Topological polar surface area
41.9 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
3
Heavy atoms
18
Formal charge
0
Complexity
265

Related reactions

4 records
New reaction record
HRID 697634 reaction equation
HRID 697634As productTraining data from https://doi.org/10.1039/C8SC04228D (3/10)
HRID 961617 reaction equation
HRID 961617As reactantValidation data from https://doi.org/10.1039/C8SC04228D
HRID 1366517 reaction equation
HRID 1366517As productuspto-grants-2011_02
HRID 1366518 reaction equation
HRID 1366518As reactantuspto-grants-2011_02

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes