5-Bromo-4-ethyl-3,4-dihydropyrimidine - CAS 224429-98-5
Catalog: |
BB071759 |
Product Name: |
5-Bromo-4-ethyl-3,4-dihydropyrimidine |
CAS: |
224429-98-5 |
Synonyms: |
5-Bromo-4-ethyl-3,4-dihydropyrimidine; 5-bromo-4-ethyl-1,4-dihydropyrimidine |
IUPAC Name: | 5-bromo-4-ethyl-1,4-dihydropyrimidine |
Description: | 5-Bromo-4-ethyl-3,4-dihydropyrimidine |
Molecular Weight: | 189.05 |
Molecular Formula: | C6H9BrN2 |
Canonical SMILES: | CCC1C(=CNC=N1)Br |
InChI: | InChI=1S/C6H9BrN2/c1-2-6-5(7)3-8-4-9-6/h3-4,6H,2H2,1H3,(H,8,9) |
InChI Key: | SATOWWCSWKAUNO-UHFFFAOYSA-N |
Complexity: | 151 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 187.99491 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 187.99491 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 24.4Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1 |
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