4-Amino-2,6-dichloro-5-nitropyrimidine - CAS 31221-68-8
Catalog: |
BB020834 |
Product Name: |
4-Amino-2,6-dichloro-5-nitropyrimidine |
CAS: |
31221-68-8 |
Synonyms: |
2,6-dichloro-5-nitro-4-pyrimidinamine; 2,6-dichloro-5-nitropyrimidin-4-amine |
IUPAC Name: | 2,6-dichloro-5-nitropyrimidin-4-amine |
Description: | 2,6-Dichloro-5-nitropyrimidin-4-amine can be used effectively against powdery mildews. |
Molecular Weight: | 208.99 |
Molecular Formula: | C4H2Cl2N4O2 |
Canonical SMILES: | C1(=C(N=C(N=C1Cl)Cl)N)[N+](=O)[O-] |
InChI: | InChI=1S/C4H2Cl2N4O2/c5-2-1(10(11)12)3(7)9-4(6)8-2/h(H2,7,8,9) |
InChI Key: | HTUHWWQWBOTDDW-UHFFFAOYSA-N |
LogP: | 2.37820 |
Publication Number | Title | Priority Date |
TW-202014182-A | CD73 inhibitor | 20180430 |
US-2021047359-A1 | Cd73 inhibitors | 20180430 |
JP-2021522280-A | CD73 inhibitor | 20180430 |
US-2020347090-A1 | Cd73 inhibitors | 20171103 |
US-2020093844-A1 | Cd73 inhibitors | 20170510 |
Complexity: | 186 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 207.9554807 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 207.9554807 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 97.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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