(4-Acetoxybenzyl)-(4-iodophenyl)pyrimidin-2-ylamine

HCID 57762581
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Basic information

Standard SMILES
CC(=O)Oc1ccc(CN(c2ccc(I)cc2)c2ncccn2)cc1
InChIKey
JIEGAJBVMQYQTQ-UHFFFAOYSA-N
Molecular formula
C19H16IN3O2
Average molar mass
445.3 g/mol

Names & identifiers

Preferred name
(4-Acetoxybenzyl)-(4-iodophenyl)pyrimidin-2-ylamine
IUPAC
[4-[(4-iodo-N-pyrimidin-2-ylanilino)methyl]phenyl] acetate

Names & synonyms

SCHEMBL1120966JIEGAJBVMQYQTQ-UHFFFAOYSA-N(4-acetoxybenzyl)-(4-iodophenyl)pyrimidin-2-ylamine(4-iodophenyl)-(4-acetoxybenzyl)pyrimidin-2-ylamine

Database identifiers

PubChem CID
57762581

Properties

Computed structural properties

XLogP
4.1
Topological polar surface area
55.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
6
Heavy atoms
25

Related reactions

7 records
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Compound notes

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