2-Amino-4-(furan-2-YL)-6-(methylsulfinyl)pyrimidine-5-carbonitrile

HCID 18507692

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Basic information

Standard SMILES: CS(=O)c1nc(N)nc(-c2ccco2)c1C#N
InChIKey: FQSCYGFZLLNPCA-UHFFFAOYSA-N
Molecular formula: C10H8N4O2S
Average molar mass: 248.26 g/mol
Monoisotopic mass: 248.03679668

Names & identifiers

Preferred name: 2-Amino-4-(furan-2-YL)-6-(methylsulfinyl)pyrimidine-5-carbonitrile
IUPAC: 2-amino-4-(furan-2-yl)-6-methylsulfinylpyrimidine-5-carbonitrile

Names & synonyms

2-AMINO-4-(FURAN-2-YL)-6-(METHYLSULFINYL)PYRIMIDINE-5-CARBONITRILE357286-73-8SCHEMBL6444885FQSCYGFZLLNPCA-UHFFFAOYSA-NF709632-amino-4-furan-2-yl-6-methanesulfinyl-pyrimidine-5-carbonitrile

Database identifiers

PubChem CID: 18507692

Properties

Computed structural properties

XLogP: -0.2
Topological polar surface area: 125 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 7
Rotatable bonds: 2
Heavy atoms: 17
Formal charge: 0
Complexity: 355

Related reactions

134 records

New reaction record

HRID 87908As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 88963As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 98332As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 108062As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 149080As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 165286As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 172883As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 190209As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

Linked notes

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