4-(4-(methylsulfonyl)phenyl)-N-(tetrahydro-2H-pyran-4-yl)-6-(trifluoromethyl)pyrimidin-2-amine

HCID 9822357

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: CS(=O)(=O)c1ccc(-c2cc(C(F)(F)F)nc(NC3CCOCC3)n2)cc1
InChIKey: CZZCGYYJTPWNON-UHFFFAOYSA-N
Molecular formula: C17H18F3N3O3S
Average molar mass: 401.4 g/mol

Names & identifiers

Preferred name: 4-(4-(methylsulfonyl)phenyl)-N-(tetrahydro-2H-pyran-4-yl)-6-(trifluoromethyl)pyrimidin-2-amine
IUPAC: 4-(4-methylsulfonylphenyl)-N-(oxan-4-yl)-6-(trifluoromethyl)pyrimidin-2-amine

Names & synonyms

CHEMBL5598864-(4-(methylsulfonyl)phenyl)-N-(tetrahydro-2H-pyran-4-yl)-6-(trifluoromethyl)pyrimidin-2-amineSCHEMBL5826798BDBM502976664-[4-(methylsulfonyl)phenyl]-N-tetrahydro-2H-pyran-4-yl-6-(trifluoromethyl)pyrimidin-2-amine

Database identifiers

PubChem CID: 9822357
ChEMBL: CHEMBL559886

Properties

Computed structural properties

XLogP: 2.7
Topological polar surface area: 89.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 9
Rotatable bonds: 4
Heavy atoms: 27
Formal charge: 0
Complexity: 582

Related reactions

4 records

New reaction record

HRID 6696As productuspto-grants-2006_08

HRID 6697As reactantuspto-grants-2006_08

HRID 1571702As productTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

HRID 2124879As reactantTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

Compound notes

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