5-Bromo-2,4-dimethoxypyrimidine - CAS 56686-16-9
Catalog: |
BB029464 |
Product Name: |
5-Bromo-2,4-dimethoxypyrimidine |
CAS: |
56686-16-9 |
Synonyms: |
5-bromo-2,4-dimethoxypyrimidine |
IUPAC Name: | 5-bromo-2,4-dimethoxypyrimidine |
Description: | 5-Bromo-2,4-dimethoxypyrimidine (CAS# 56686-16-9) is a compound useful in organic synthesis. |
Molecular Weight: | 219.04 |
Molecular Formula: | C6H7BrN2O2 |
Canonical SMILES: | COC1=NC(=NC=C1Br)OC |
InChI: | InChI=1S/C6H7BrN2O2/c1-10-5-4(7)3-8-6(9-5)11-2/h3H,1-2H3 |
InChI Key: | QEZIMQMMEGPYTR-UHFFFAOYSA-N |
Boiling Point: | 297 °C at 760 mmHg |
Purity: | 98 % |
Density: | 1.563 g/cm3 |
MDL: | MFCD00038016 |
LogP: | 1.25630 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2019236487-A1 | Pyrimidine cyclohexenyl glucocorticoid receptor modulators | 20180604 |
AU-2019282047-A1 | Pyrimidine cyclohexenyl glucocorticoid receptor modulators | 20180604 |
CN-112236416-A | Pyrimidine cyclohexenyl glucocorticoid receptor modulators | 20180604 |
EP-3802499-A1 | Pyrimidine cyclohexenyl glucocorticoid receptor modulators | 20180604 |
KR-20210003311-A | Pyrimidine cyclohexenyl glucocorticoid receptor modulator | 20180604 |
Complexity: | 125 |
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: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 217.96909 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 44.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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