2-Amino-4-(4-fluoro-phenyl)-6-methylsulfanyl-pyrimidine-5-carbonitrile

HCID 18507331
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Basic information

Standard SMILES
CSc1nc(N)nc(-c2ccc(F)cc2)c1C#N
InChIKey
HROGJOUYLMYXAO-UHFFFAOYSA-N
Molecular formula
C12H9FN4S
Average molar mass
260.29 g/mol
Monoisotopic mass
260.05319564

Names & identifiers

Preferred name
2-Amino-4-(4-fluoro-phenyl)-6-methylsulfanyl-pyrimidine-5-carbonitrile
IUPAC
2-amino-4-(4-fluorophenyl)-6-methylsulfanylpyrimidine-5-carbonitrile

Names & synonyms

SCHEMBL6440513HROGJOUYLMYXAO-UHFFFAOYSA-N2-amino-4-(4-fluoro-phenyl)-6-methylsulfanyl-pyrimidine-5-carbonitrile

Database identifiers

PubChem CID
18507331

Properties

Computed structural properties

XLogP
2.2
Topological polar surface area
101 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
2
Heavy atoms
18

Related reactions

1 records
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Compound notes

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