Methyl 6-{[6-bromo-5-(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-yl]amino}hexanoate

HCID 58016901

Notes Reactions

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Basic information

Standard SMILES: COC(=O)CCCCCNc1ncnc2oc(Br)c(-c3ccc(OC)cc3)c12
InChIKey: DXYMXBLVOFCNQB-UHFFFAOYSA-N
Molecular formula: C20H22BrN3O4
Average molar mass: 448.3 g/mol

Names & identifiers

Preferred name: Methyl 6-{[6-bromo-5-(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-yl]amino}hexanoate
IUPAC: methyl 6-[[6-bromo-5-(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-yl]amino]hexanoate

Names & synonyms

SCHEMBL2179668DXYMXBLVOFCNQB-UHFFFAOYSA-N6-{[6-Bromo-5-(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-yl]amino}hexanoic acid methyl esterMethyl 6-{[6-bromo-5-(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-yl]amino}hexanoate

Database identifiers

PubChem CID: 58016901

Properties

Computed structural properties

XLogP: 4.8
Topological polar surface area: 86.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 7
Rotatable bonds: 10
Heavy atoms: 28
Formal charge: 0
Complexity: 490

Related reactions

22 records

New reaction record

HRID 107625As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 115510As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 156884As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 286878As productTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 673770As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 679777As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 1119221As reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

HRID 1145204As reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

Compound notes

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