4-Sec-butylamino-6-(4-fluoro-2-methyl-phenyl)-2-methylsulfanyl-pyrimidine-5-carbaldehyde

HCID 59639559
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Basic information

Standard SMILES
CCC(C)Nc1nc(SC)nc(-c2ccc(F)cc2C)c1C=O
InChIKey
FNNUNDOCUBKGRG-UHFFFAOYSA-N
Molecular formula
C17H20FN3OS
Average molar mass
333.4 g/mol

Names & identifiers

Preferred name
4-Sec-butylamino-6-(4-fluoro-2-methyl-phenyl)-2-methylsulfanyl-pyrimidine-5-carbaldehyde
IUPAC
4-(butan-2-ylamino)-6-(4-fluoro-2-methylphenyl)-2-methylsulfanylpyrimidine-5-carbaldehyde

Names & synonyms

SCHEMBL1063631SCHEMBL12122395FNNUNDOCUBKGRG-UHFFFAOYSA-N4-sec-butylamino-6-(4-fluoro-2-methyl-phenyl)-2-methylsulfanyl-pyrimidine-5-carbaldehyde

Database identifiers

PubChem CID
59639559

Properties

Computed structural properties

XLogP
4.8
Topological polar surface area
80.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
6
Heavy atoms
23

Related reactions

6 records
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Compound notes

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