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Ormetoprim

CAT: 0572-TRC-O686800-250MGSize: 250 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-O686800-250MGSize:250 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
6981-18-6
Hazard Statement
Harmful if swallowed
Purity
>95% (HPLC)
Smiles
COc1cc(C)c(Cc2cnc(N)nc2N)cc1OC
Molecular Formula
C14 H18 N4 O2
Molecular Weight
274.32
InChI
InChI=1S/C14H18N4O2/c1-8-4-11(19-2)12(20-3)6-9(8)5-10-7-17-14(16)18-13(10)15/h4,6-7H,5H2,1-3H3,(H4,15,16,17,18)
Additionnal Information
IUPAC name: 5-[(4,5-dimethoxy-2-methylphenyl)methyl]pyrimidine-2,4-diamine
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Ormetoprim

5-[(4,5-dimethoxy-2-methylphenyl)methyl]pyrimidine-2,4-diamine is a dimethoxybenzene.

CAS Number6981-18-6
PubChem CID23418
IUPAC Name5-[(4,5-dimethoxy-2-methylphenyl)methyl]pyrimidine-2,4-diamine
Molecular FormulaC14H18N4O2
Molecular Weight274.32
XLogP1.2
Topological Polar Surface Area96.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count20
Formal Charge0
Complexity305
SMILES
CC1=CC(=C(C=C1CC2=CN=C(N=C2N)N)OC)OC
InChI
InChI=1S/C14H18N4O2/c1-8-4-11(19-2)12(20-3)6-9(8)5-10-7-17-14(16)18-13(10)15/h4,6-7H,5H2,1-3H3,(H4,15,16,17,18)
InChIKey
KEEYRKYKLYARHO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ormetoprim
CAS: 6981-18-6
CID: 23418
Formula: C14H18N4O2
MW: 274.32
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight274.32
XLogP31.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass274.14297583
Monoisotopic Mass274.14297583
Topological Polar Surface Area96.3 Ų
Heavy Atom Count20
Formal Charge0
Complexity305
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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