2-{[1-Methyl-2-(methyloxy)ethyl]oxy}-8-(methoxy)-9-(tetrahydro-2H-pyran-3-ylmethyl)-9H-purin-6-amine

HCID 57699698

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: COCC(C)Oc1nc(N)c2nc(OC)n(CC3CCCOC3)c2n1
InChIKey: QVVKRMFZEHKODN-UHFFFAOYSA-N
Molecular formula: C16H25N5O4
Average molar mass: 351.4 g/mol
Monoisotopic mass: 351.1906543

Names & identifiers

Preferred name: 2-{[1-Methyl-2-(methyloxy)ethyl]oxy}-8-(methoxy)-9-(tetrahydro-2H-pyran-3-ylmethyl)-9H-purin-6-amine
IUPAC: 8-methoxy-2-(1-methoxypropan-2-yloxy)-9-(oxan-3-ylmethyl)purin-6-amine

Names & synonyms

SCHEMBL2198093QVVKRMFZEHKODN-UHFFFAOYSA-N2-{[1-methyl-2-(methoxy)ethyl]oxy}-8-(methyloxy)-9-(tetrahydro-2H-pyran-3-ylmethyl)-9H-purin-6-amine2-{[1-Methyl-2-(methyloxy)ethyl]oxy}-8-(methoxy)-9-(tetrahydro-2H-pyran-3-ylmethyl)-9H-purin-6-amine

Database identifiers

PubChem CID: 57699698

Properties

Computed structural properties

XLogP: 1.1
Topological polar surface area: 107 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 8
Rotatable bonds: 7
Heavy atoms: 25
Formal charge: 0
Complexity: 418

Related reactions

4 records

New reaction record

HRID 1011009As productuspto-grants-2011_07

HRID 1011183As reactantuspto-grants-2011_07

HRID 1120039As productTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

HRID 2315311As reactantTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Compound notes

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