4-amino-2-[[(2,3-difluorophenyl)methyl]thio]-5,7-dihydro-6H-pyrrolo[2,3-d]pyrimidin-6-one

HCID 69749801
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Basic information

Standard SMILES
Nc1nc(SCc2cccc(F)c2F)nc2c1CC(=O)N2
InChIKey
UUQYSXBFJGFLKV-UHFFFAOYSA-N
Molecular formula
C13H10F2N4OS
Average molar mass
308.31 g/mol

Names & identifiers

Preferred name
4-amino-2-[[(2,3-difluorophenyl)methyl]thio]-5,7-dihydro-6H-pyrrolo[2,3-d]pyrimidin-6-one
IUPAC
4-amino-2-[(2,3-difluorophenyl)methylsulfanyl]-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one

Names & synonyms

SCHEMBL6351788UUQYSXBFJGFLKV-UHFFFAOYSA-N4-amino-2-[[(2,3-difluorophenyl)methyl]thio]-5,7-dihydro-6H-pyrrolo[2,3-d]pyrimidin-6-one

Database identifiers

PubChem CID
69749801

Properties

Computed structural properties

XLogP
1.6
Topological polar surface area
106 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
7
Rotatable bonds
3
Heavy atoms
21

Related reactions

2 records
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Compound notes

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