5-Bromo-2,4-dimethylpyrimidine - CAS 69696-37-3
Catalog: |
BB033932 |
Product Name: |
5-Bromo-2,4-dimethylpyrimidine |
CAS: |
69696-37-3 |
Synonyms: |
5-bromo-2,4-dimethylpyrimidine; 5-bromo-2,4-dimethylpyrimidine |
IUPAC Name: | 5-bromo-2,4-dimethylpyrimidine |
Description: | 5-Bromo-2,4-dimethylpyrimidine (CAS# 69696-37-3) is a useful research chemical. |
Molecular Weight: | 187.04 |
Molecular Formula: | C6H7BrN2 |
Canonical SMILES: | CC1=NC(=NC=C1Br)C |
InChI: | InChI=1S/C6H7BrN2/c1-4-6(7)3-8-5(2)9-4/h3H,1-2H3 |
InChI Key: | UITPCPFEEVHRRJ-UHFFFAOYSA-N |
LogP: | 1.85590 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021076945-A1 | Tropolone derivatives and tautomers thereof for iron regulation in animals | 20191016 |
AU-2018391675-A1 | Sulphonyl urea derivatives as NLRP3 inflammasome modulators | 20171218 |
WO-2019121691-A1 | Sulphonyl urea derivatives as nlrp3 inflammasome modulators | 20171218 |
BR-112020011779-A2 | sulfonyl urea derivatives as inflammassone modulators nlrp3 | 20171218 |
CN-111954670-A | Sulfonylurea derivatives as NLRP3 inflammasome modulators | 20171218 |
Complexity: | 97.1 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 185.97926 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 185.97926 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 25.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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