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2,5-Dichloro-N-(5-ethyl-1H-pyrazol-3-yl)pyrimidin-4-amine

HCID 58255148
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
CCc1cc(Nc2nc(Cl)ncc2Cl)n[nH]1
InChIKey
DELMNYSUQJBEHN-UHFFFAOYSA-N
Molecular formula
C9H9Cl2N5
Average molar mass
258.1 g/mol

Names & identifiers

Preferred name
2,5-Dichloro-N-(5-ethyl-1H-pyrazol-3-yl)pyrimidin-4-amine
IUPAC
2,5-dichloro-N-(5-ethyl-1H-pyrazol-3-yl)pyrimidin-4-amine

Names & synonyms

SCHEMBL1770945DELMNYSUQJBEHN-UHFFFAOYSA-N2,5-Dichloro-N-(5-ethyl-1H-pyrazol-3-yl)pyrimidin-4-amine

Database identifiers

PubChem CID
58255148

Properties

Computed structural properties

XLogP
3.1
Topological polar surface area
66.5 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
3
Heavy atoms
16
Formal charge
0
Complexity
230

Related reactions

3 records
New reaction record
HRID 94612 reaction equation
HRID 94612As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 536335 reaction equation
HRID 536335As productuspto-grants-2014_10
HRID 1897656 reaction equation
HRID 1897656As productuspto-grants-2013_08

Compound notes

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