2-Amino-4-(p-chlorophenyl)-6-(methylthio)-pyrimidine-5-carbonitrile

HCID 4138844
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Basic information

Standard SMILES
CSc1nc(N)nc(-c2ccc(Cl)cc2)c1C#N
InChIKey
QWQSLRNQIPTUFT-UHFFFAOYSA-N
Molecular formula
C12H9ClN4S
Average molar mass
276.75 g/mol

Names & identifiers

Preferred name
2-Amino-4-(p-chlorophenyl)-6-(methylthio)-pyrimidine-5-carbonitrile
IUPAC
2-amino-4-(4-chlorophenyl)-6-methylsulfanylpyrimidine-5-carbonitrile

Names & synonyms

SCHEMBL6444900QWQSLRNQIPTUFT-UHFFFAOYSA-N2-Amino-4-(p-chlorophenyl)-6-(methylthio)-pyrimidine-5-carbonitrile

Database identifiers

PubChem CID
4138844

Properties

Computed structural properties

XLogP
2.7
Topological polar surface area
101 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
2
Heavy atoms
18

Related reactions

1 records
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Compound notes

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