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1004-38-2 | 2,4,6-Pyrimidinetriamine
CAS No: 1004-38-2 Catalog No: AG0001WY MDL No:MFCD00006100
Product Description
Catalog Number:
AG0001WY
Chemical Name:
2,4,6-Pyrimidinetriamine
CAS Number:
1004-38-2
Molecular Formula:
C4H7N5
Molecular Weight:
125.1319
MDL Number:
MFCD00006100
IUPAC Name:
pyrimidine-2,4,6-triamine
InChI:
InChI=1S/C4H7N5/c5-2-1-3(6)9-4(7)8-2/h1H,(H6,5,6,7,8,9)
InChI Key:
JTTIOYHBNXDJOD-UHFFFAOYSA-N
SMILES:
Nc1cc(N)nc(n1)N
EC Number:
213-720-7
NSC Number:
26493
Properties
Complexity:
85
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
125.07g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
125.135g/mol
Monoisotopic Mass:
125.07g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8
Literature
| Title | Journal |
|---|---|
| Independence of net water flux from paracellular permeability in the intestine of Fundulus heteroclitus, a euryhaline teleost. | The Journal of experimental biology 20120201 |
| Synthesis and biological evaluation of novel pyrimidine derivatives as sub-micromolar affinity ligands of GalR2. | Bioorganic & medicinal chemistry letters 20111201 |
| Novel ligands for a purine riboswitch discovered by RNA-ligand docking. | Chemistry & biology 20110325 |
| Structure-based design of pteridine reductase inhibitors targeting African sleeping sickness and the leishmaniases. | Journal of medicinal chemistry 20100114 |
| Electrochemical behavior and voltammetric determination of 2,4,6-triaminopyrimidine at glassy carbon electrode modified with multi-walled carbon nanotubes/nafion. | Analytical sciences : the international journal of the Japan Society for Analytical Chemistry 20100101 |
| Novel non-classical C9-methyl-5-substituted-2,4-diaminopyrrolo[2,3-d]pyrimidines as potential inhibitors of dihydrofolate reductase and as anti-opportunistic agents. | Bioorganic & medicinal chemistry 20061215 |
| Carbon protonation of 2,4,6-triaminopyrimidines: synthesis, NMR studies, and theoretical calculations. | The Journal of organic chemistry 20060623 |
| Recyclable self-assembly-supported catalytic system for orthoalkylation. | Organic letters 20050707 |
| Acute stress-induced hypersensitivity to colonic distension depends upon increase in paracellular permeability: role of myosin light chain kinase. | Pain 20050101 |
| Structural variations of piritrexim, a lipophilic inhibitor of human dihydrofolate reductase: synthesis, antitumor activity and molecular modeling investigations. | European journal of medicinal chemistry 20041201 |
| A new and efficient synthesis of pyrrolo[2,3-d]pyrimidine anticancer agents: Alimta (LY231514, MTA), homo-Alimta, TNP-351, and some aryl 5-substituted pyrrolo[2,3-d]pyrimidines. | The Journal of organic chemistry 20031226 |
| In vivo sugar diffusion in the ileal epithelium of spontaneously hypertensive rats. | Scandinavian journal of gastroenterology 20030901 |
| Proteinase-activated receptor-2-induced colonic inflammation in mice: possible involvement of afferent neurons, nitric oxide, and paracellular permeability. | Journal of immunology (Baltimore, Md. : 1950) 20030415 |
| Gum arabic (GA) modifies paracellular water and electrolyte transport in the small intestine. | Digestive diseases and sciences 20030401 |
| Protonation of the pyrimidine ring at the C(5) position: formation of a stable cationic sigma-complex. | Journal of the American Chemical Society 20030305 |
| Non-classical antifolates, 5-(N-phenylpyrrolidin-3-yl)-2,4,6-triaminopyrimidines and 2,4-Diamino-6(5H)-oxopyrimidines, synthesis and antitumor studies. | Bioorganic & medicinal chemistry 20030102 |
| Ionic balance in the freshwater-adapted Chinese crab, Eriocheir sinensis. | Journal of comparative physiology. B, Biochemical, systemic, and environmental physiology 20010501 |
| Selective in vivo and in vitro effects of a small molecule inhibitor of cyclin-dependent kinase 4. | Journal of the National Cancer Institute 20010321 |
| Fine structural specificity differences of trimethoprim allergenic determinants. | Clinical and experimental allergy : journal of the British Society for Allergy and Clinical Immunology 19961001 |
| Purification and Characterization of an Inducible s-Triazine Hydrolase from Rhodococcus corallinus NRRL B-15444R. | Applied and environmental microbiology 19940201 |
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