6-Bromo-1,5-dimethylpyrimidine-2,4(1H,3H)-dione - CAS 1609259-61-1
Catalog: |
BB011682 |
Product Name: |
6-Bromo-1,5-dimethylpyrimidine-2,4(1H,3H)-dione |
CAS: |
1609259-61-1 |
Synonyms: |
6-bromo-1,5-dimethylpyrimidine-2,4-dione; 6-bromo-1,5-dimethylpyrimidine-2,4-dione |
IUPAC Name: | 6-bromo-1,5-dimethylpyrimidine-2,4-dione |
Description: | 6-Bromo-1,5-dimethylpyrimidine-2,4(1H,3H)-dione (CAS# 1609259-61-1) is an intermediate in synthesizing 6-[4-(3-Trifluoromethylpyridin-2-yloxy)-2-methylphenyl]-1,5-dimethyl-2,4(1H,3H)-pyrimidinedione (T791550), which is a useful synthetic intermediate. |
Molecular Weight: | 219.04 |
Molecular Formula: | C6H7BrN2O2 |
Canonical SMILES: | CC1=C(N(C(=O)NC1=O)C)Br |
InChI: | InChI=1S/C6H7BrN2O2/c1-3-4(7)9(2)6(11)8-5(3)10/h1-2H3,(H,8,10,11) |
InChI Key: | LQXGGFUWLLKMFI-UHFFFAOYSA-N |
LogP: | 0.14450 |
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 |
CA-2946990-A1 | Heterocyclic compounds and their use as dopamine d1 ligands | 20140428 |
EP-3137454-A1 | Heteroaromatic compounds and their use as dopamine d1 ligands | 20140428 |
EP-3137469-B1 | Heterocyclic compounds and their use as dopamine d1 ligands | 20140428 |
JP-2017513910-A | Heterocyclic compounds and their use as dopamine D1 ligands | 20140428 |
JP-6564394-B2 | Heterocyclic compounds and their use as dopamine D1 ligands | 20140428 |
Complexity: | 259 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 217.96909 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 217.96909 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 49.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.5 |
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