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Diaveridine 250mg

CAT: 0628-A17000-250Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0628-A17000-250Size:250 mg
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CAS Number
5355-16-8

Chemical Information

Diaveridine

Diaveridine is an aminopyrimidine in which the pyrimidine ring carries amino substituents at C-2 and C-4 and a 3,4-dimethoxybenzyl group at C-5. A folic acid antagonist, it is used as a synergist with sulfonamides against the parasitic Eimeria species. It has a role as an antiparasitic agent and a drug allergen.

CAS Number5355-16-8
PubChem CID21453
IUPAC Name5-[(3,4-dimethoxyphenyl)methyl]pyrimidine-2,4-diamine
Molecular FormulaC13H16N4O2
Molecular Weight260.29
XLogP1
Topological Polar Surface Area96.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count19
Formal Charge0
Complexity279
SMILES
COC1=C(C=C(C=C1)CC2=CN=C(N=C2N)N)OC
InChI
InChI=1S/C13H16N4O2/c1-18-10-4-3-8(6-11(10)19-2)5-9-7-16-13(15)17-12(9)14/h3-4,6-7H,5H2,1-2H3,(H4,14,15,16,17)
InChIKey
LDBTVAXGKYIFHO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Diaveridine
CAS: 5355-16-8
CID: 21453
Formula: C13H16N4O2
MW: 260.29
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight260.29
XLogP31
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass260.12732577
Monoisotopic Mass260.12732577
Topological Polar Surface Area96.3 Ų
Heavy Atom Count19
Formal Charge0
Complexity279
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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