[4-(2,4-Dimethyl-1H-pyrrol-3-yl)-pyrimidin-2-yl]-(4-fluoro-phenyl)-amine

HCID 9856973

Notes Reactions

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Basic information

Standard SMILES: Cc1c[nH]c(C)c1-c1ccnc(Nc2ccc(F)cc2)n1
InChIKey: ZOIBFMHYKLJEKS-UHFFFAOYSA-N
Molecular formula: C16H15FN4
Average molar mass: 282.32 g/mol

Names & identifiers

Preferred name: [4-(2,4-Dimethyl-1H-pyrrol-3-yl)-pyrimidin-2-yl]-(4-fluoro-phenyl)-amine
IUPAC: 4-(2,4-dimethyl-1H-pyrrol-3-yl)-N-(4-fluorophenyl)pyrimidin-2-amine

Names & synonyms

SCHEMBL4614605ZOIBFMHYKLJEKS-UHFFFAOYSA-N[4-(2,4-Dimethyl-1H-pyrrol-3-yl)-pyrimidin-2-yl]-(4-fluoro-phenyl)-amine[4-(2,4-Dimethyl-1H-pyrrole-3-yl)-pyrimidin-2-yl]-(4-fluoro-phenyl)-amine

Database identifiers

PubChem CID: 9856973

Properties

Computed structural properties

XLogP: 3.4
Topological polar surface area: 53.6 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 3
Heavy atoms: 21
Formal charge: 0
Complexity: 332

Related reactions

7 records

New reaction record

HRID 806679As reactantTest data from https://doi.org/10.1039/C8SC04228D

HRID 855608As productuspto-grants-2007_08

HRID 855618As reactantuspto-grants-2007_08

HRID 855619As reactantuspto-grants-2007_08

HRID 855620As reactantuspto-grants-2007_08

HRID 941140As reactantValidation data from https://doi.org/10.1039/C8SC04228D

HRID 1225846As reactantTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

Compound notes

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