4-chloro-2-morpholin-4-yl-7-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine

HCID 59244708

Notes Reactions

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Basic information

Standard SMILES: Clc1nc(N2CCOCC2)nc2c1CCN2c1ccncc1
InChIKey: QFGGPYZBFNUSNH-UHFFFAOYSA-N
Molecular formula: C15H16ClN5O
Average molar mass: 317.77 g/mol

Names & identifiers

Preferred name: 4-chloro-2-morpholin-4-yl-7-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine
IUPAC: 4-(4-chloro-7-pyridin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl)morpholine

Names & synonyms

SCHEMBL2378752QFGGPYZBFNUSNH-UHFFFAOYSA-N4-chloro-2-morpholin-4-yl-7-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine

Database identifiers

PubChem CID: 59244708

Properties

Computed structural properties

XLogP: 2.2
Topological polar surface area: 54.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 6
Rotatable bonds: 2
Heavy atoms: 22
Formal charge: 0
Complexity: 375

Related reactions

33 records

New reaction record

HRID 290792As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 669855As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 671176As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 833582As reactantTest data from https://doi.org/10.1039/C8SC04228D

HRID 836389As reactantTest data from https://doi.org/10.1039/C8SC04228D

HRID 912111As reactantuspto-grants-2011_09

HRID 912115As reactantuspto-grants-2011_09

HRID 912117As reactantuspto-grants-2011_09

Compound notes

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