Products for Research Use Only

N2-Methyl Trimethoprim (Impurity)

CAT: 0572-TRC-M331190-100MGSize: 100 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0572-TRC-M331190-100MGSize:100 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
213745-86-9
Synonyms
Trimethoprim Imp. A (EP); N2-Methyl-5-(3,4,5-trimethoxybenzyl)pyrimidine-2,4-diamine; Trimethoprim Impurity A
Hazard Statement
Not a hazardous substance according to GHS.
Purity
>95% (HPLC)
Smiles
CNc1ncc(Cc2cc(OC)c(OC)c(OC)c2)c(N)n1
Molecular Formula
C15 H20 N4 O3
Molecular Weight
304.34
InChI
InChI=1S/C15H20N4O3/c1-17-15-18-8-10(14(16)19-15)5-9-6-11(20-2)13(22-4)12(7-9)21-3/h6-8H,5H2,1-4H3,(H3,16,17,18,19)
Additionnal Information
IUPAC name: 2-N-methyl-5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

2-Desamino-2-methylamino trimethoprim
CAS Number213745-86-9
PubChem CID44296584
IUPAC Name2-N-methyl-5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine
Molecular FormulaC15H20N4O3
Molecular Weight304.34
XLogP1.6
Topological Polar Surface Area91.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Heavy Atom Count22
Formal Charge0
Complexity320
SMILES
CNC1=NC=C(C(=N1)N)CC2=CC(=C(C(=C2)OC)OC)OC
InChI
InChI=1S/C15H20N4O3/c1-17-15-18-8-10(14(16)19-15)5-9-6-11(20-2)13(22-4)12(7-9)21-3/h6-8H,5H2,1-4H3,(H3,16,17,18,19)
InChIKey
LCMRPHMVLYACMM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Desamino-2-methylamino trimethoprim
CAS: 213745-86-9
CID: 44296584
Formula: C15H20N4O3
MW: 304.34
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight304.34
XLogP31.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Exact Mass304.15354051
Monoisotopic Mass304.15354051
Topological Polar Surface Area91.5 Ų
Heavy Atom Count22
Formal Charge0
Complexity320
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