Diaveridine

Synonyms: Diaveridin, "Diaveridinum", "2,4-Diamino-5-veratrylpyrimidine", "5-(3,4-dimethoxybenzyl)pyrimidine-2,4-diamine", "2,4-Diamino-5-(3,4-dimethoxybenzyl)pyrimidine", "BW 49-210", "5-((3,4-Dimethoxyphenyl)methyl)-2,4-pyrimidinediamine", "5-[(3,4-dimethoxyphenyl)methyl]pyrimidine-2,4-diamine"

Source: Diaveridine is a coccidiostat used in veterinary medicine that exhibits antiparasitic activity.

Identifiers:

IUPAC Name: 5-[(3,4-dimethoxyphenyl)methyl]pyrimidine-2,4-diamine
CAS Number: 5355-16-8
PubChem ID: 21453
InChiKey: LDBTVAXGKYIFHO-UHFFFAOYSA-N
Canonical SMILES: COC1=C(C=C(C=C1)CC2=CN=C(N=C2N)N)OC

Structural Properties:

Molecular Formula: C₁₃H₁₆N₄O₂
Molecular Weight: 260,290

Pharmacophore Features:

Number of bond donors: 2
Number of bond acceptors: 6
Number of atoms different from hydrogen: 19

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3D structure (.sdf)
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Evidence Supporting This Chemical as an Emerging Contaminant

Syakti, A. D., Ahmed, M. M., Hidayati, N. V., Hilmi, E., Sulystyo, I., Piram, A., & Doumenq, P. (2013). Screening of emerging pollutants in the mangrove of Segara Anakan Nature Reserve, Indonesia. IERI Procedia, 5, 216-222.

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2D-structure

3D-structure