Methyl 6-[(5-bromo-6-phenylfuro[2,3-d]pyrimidin-4-yl)amino]hexanoate

HCID 25123738
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Basic information

Standard SMILES
COC(=O)CCCCCNc1ncnc2oc(-c3ccccc3)c(Br)c12
InChIKey
IYZDPRRORUQBSM-UHFFFAOYSA-N
Molecular formula
C19H20BrN3O3
Average molar mass
418.3 g/mol
Monoisotopic mass
417.0688

Names & identifiers

Preferred name
Methyl 6-[(5-bromo-6-phenylfuro[2,3-d]pyrimidin-4-yl)amino]hexanoate
IUPAC
methyl 6-[(5-bromo-6-phenylfuro[2,3-d]pyrimidin-4-yl)amino]hexanoate

Names & synonyms

SCHEMBL2179113IYZDPRRORUQBSM-UHFFFAOYSA-NMethyl 6-[(5-bromo-6-phenylfuro[2,3-d]pyrimidin-4-yl)amino]hexanoate6-[(5-Bromo-6-phenylfuro[2,3-d]pyrimidin-4-yl)amino]hexanoic acid methyl ester

Database identifiers

PubChem CID
25123738

Properties

Computed structural properties

XLogP
4.5
Topological polar surface area
77.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
9
Heavy atoms
26

Related reactions

2 records
New reaction record

Linked notes

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