4,6-Dichloro-2-methyl-5-nitropyrimidine - CAS 13162-43-1
Catalog: |
BB007460 |
Product Name: |
4,6-Dichloro-2-methyl-5-nitropyrimidine |
CAS: |
13162-43-1 |
Synonyms: |
4,6-dichloro-2-methyl-5-nitropyrimidine; 4,6-dichloro-2-methyl-5-nitropyrimidine |
IUPAC Name: | 4,6-dichloro-2-methyl-5-nitropyrimidine |
Description: | 4,6-Dichloro-2-methyl-5-nitropyrimidine (CAS# 13162-43-1) is a useful research chemical. |
Molecular Weight: | 208.00 |
Molecular Formula: | C5H3Cl2N3O2 |
Canonical SMILES: | CC1=NC(=C(C(=N1)Cl)[N+](=O)[O-])Cl |
InChI: | InChI=1S/C5H3Cl2N3O2/c1-2-8-4(6)3(10(11)12)5(7)9-2/h1H3 |
InChI Key: | OPXGPTXSLFZVCA-UHFFFAOYSA-N |
Boiling Point: | 310.4 °C at 760 mmHg |
Density: | 1.626 g/cm3 |
Storage: | Inert atmosphere, 2-8 °C |
MDL: | MFCD00060527 |
LogP: | 2.52320 |
Publication Number | Title | Priority Date |
US-2020131209-A1 | Novel sting agonists | 20181029 |
WO-2020092127-A1 | Novel sting agonists | 20181029 |
EP-3873484-A1 | Novel sting agonists | 20181029 |
AU-2018244211-A1 | Piperidinyl- and piperazinyl-substituted heteroaromatic carboxamides as modulators of GPR6 | 20170326 |
CA-3054945-A1 | Piperidinyl- and piperazinyl-substituted heteroaromatic carboxamides as modulators of gpr6 | 20170326 |
PMID | Publication Date | Title | Journal |
16004508 | 20050701 | Parallel solution-phase synthesis of a 2,6,8,9-tetrasubstituted purine library via a sulfur intermediate | Journal of combinatorial chemistry |
Complexity: | 174 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 206.9602317 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 206.9602317 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 71.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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