[4-(2-amino-6-chloro-9H-purin-9-yl)cyclopent-2-en-1-yl]methanol (HCID 356800)

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Basic information

Standard SMILES: Nc1nc(Cl)c2ncn(C3C=CC(CO)C3)c2n1
InChIKey: IHEDZPMXLKYPSA-UHFFFAOYSA-N
Molecular formula: C11H12ClN5O
Average molar mass: 265.7 g/mol

Names & identifiers

Preferred name: [4-(2-amino-6-chloro-9H-purin-9-yl)cyclopent-2-en-1-yl]methanol
IUPAC: [4-(2-amino-6-chloropurin-9-yl)cyclopent-2-en-1-yl]methanol

Names & synonyms

NSC613825[4-(2-amino-6-chloro-9H-purin-9-yl)cyclopent-2-en-1-yl]methanolCHEMBL63589SCHEMBL7099022((1S,4R)-4-(2-AMINO-6-CHLORO-9H-PURIN-9-YL)CYCLOPENT-2-ENYL)METHANOLNSC-613825SB49739SB67401

Database identifiers

PubChem CID: 356800
ChEMBL: CHEMBL63589
Nikkaji: J264.370G

Properties

Computed structural properties

XLogP: 0.7
Topological polar surface area: 89.9 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 5
Rotatable bonds: 2
Heavy atoms: 18
Formal charge: 0
Complexity: 341

Related reactions

13 records

New reaction record

HRID 118744As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 166171As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 186988As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 202816As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 283984As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 318339As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 681561As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 1571203As reactantTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

Compound notes

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