2-Amino-5-bromo-4-methoxypyrimidine - CAS 36082-45-8
Catalog: |
BB022860 |
Product Name: |
2-Amino-5-bromo-4-methoxypyrimidine |
CAS: |
36082-45-8 |
Synonyms: |
5-bromo-4-methoxy-2-pyrimidinamine; 5-bromo-4-methoxypyrimidin-2-amine |
IUPAC Name: | 5-bromo-4-methoxypyrimidin-2-amine |
Description: | 2-Amino-5-bromo-4-methoxypyrimidine (CAS# 36082-45-8) is a useful research chemical. |
Molecular Weight: | 204.02 |
Molecular Formula: | C5H6BrN3O |
Canonical SMILES: | COC1=NC(=NC=C1Br)N |
InChI: | InChI=1S/C5H6BrN3O/c1-10-4-3(6)2-8-5(7)9-4/h2H,1H3,(H2,7,8,9) |
InChI Key: | YGRROWNSCFWHHN-UHFFFAOYSA-N |
Boiling Point: | 364.794 °C at 760 mmHg |
Density: | 1.723 g/cm3 |
LogP: | 1.41110 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P272, P280, P301+P312, P302+P352, P321, P330, P333+P313, P363, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021126728-A1 | Prmt5 inhibitors | 20191217 |
WO-2020232401-A1 | Combination therapies with ire1 small molecule inhibitors | 20190515 |
WO-2020232403-A1 | Treatment of fibrosis with ire1 small molecule inhibitors | 20190515 |
WO-2020117634-A1 | Ire1 small molecule inhibitors | 20181203 |
EP-3891130-A1 | Ire1 small molecule inhibitors | 20181203 |
Complexity: | 113 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 202.96942 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 202.96942 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 61 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.9 |
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Amines and Anilines
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