4-Amino-2,6-dimethoxypyrimidine - CAS 3289-50-7
Catalog: |
BB021471 |
Product Name: |
4-Amino-2,6-dimethoxypyrimidine |
CAS: |
3289-50-7 |
Synonyms: |
2,6-dimethoxypyrimidin-4-amine |
IUPAC Name: | 2,6-dimethoxypyrimidin-4-amine |
Description: | 4-Amino-2,6-dimethoxypyrimidine (CAS# 3289-50-7) is a compound that may be polychlorinated (1). It is also (Sulfadimethoxine EP Impurity A) is an impurity of Sulfadimethoxine (S699060), an antibacterial agents that is an emerging contaminant of concern (2). |
Molecular Weight: | 155.15 |
Molecular Formula: | C6H9N3O2 |
Canonical SMILES: | COC1=NC(=NC(=C1)N)OC |
InChI: | InChI=1S/C6H9N3O2/c1-10-5-3-4(7)8-6(9-5)11-2/h3H,1-2H3,(H2,7,8,9) |
InChI Key: | LNTJJKHTAZFVJJ-UHFFFAOYSA-N |
Boiling Point: | 340.1 ℃ at 760 mmHg |
Melting Point: | 149-152 ℃ |
Purity: | 98 % |
Density: | 1.229 g/cm3 |
Appearance: | Pale yellow powder |
MDL: | MFCD00082802 |
LogP: | 0.65720 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-111039876-A | Preparation method of 4-amino-2, 6-dimethoxypyrimidine | 20191230 |
CN-110981816-A | Synthesis method of 4-amino-2, 6-dimethoxypyrimidine | 20191227 |
CN-112279888-A | Polypeptide inhibitor of APC/Asef interaction and application thereof | 20190712 |
WO-2020261114-A1 | 2,3-dihydroquinazolin compounds as nav1.8 inhibitors | 20190627 |
CN-109293582-B | Preparation method for synthesizing 4-amino-2, 6-dimethoxypyrimidine | 20181029 |
PMID | Publication Date | Title | Journal |
12682409 | 20030401 | 4-Amino-2,6-dimethoxypyrimidine: hydrogen-bonded sheets of R22(8) and R66(28) rings, reinforced by an aromatic pi-pi-stacking interaction | Acta crystallographica. Section C, Crystal structure communications |
Complexity: | 122 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 155.069476538 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 155.069476538 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 70.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.5 |
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