1-Boc-5-bromopyrimidine-2,4(1H,3H)-dione - CAS 402848-99-1
Catalog: |
BB024428 |
Product Name: |
1-Boc-5-bromopyrimidine-2,4(1H,3H)-dione |
CAS: |
402848-99-1 |
Synonyms: |
5-bromo-2,4-dioxo-1-pyrimidinecarboxylic acid tert-butyl ester; tert-butyl 5-bromo-2,4-dioxopyrimidine-1-carboxylate |
IUPAC Name: | tert-butyl 5-bromo-2,4-dioxopyrimidine-1-carboxylate |
Description: | 1-Boc-5-bromopyrimidine-2,4(1H,3H)-dione (CAS# 402848-99-1) is a useful research chemical. |
Molecular Weight: | 291.10 |
Molecular Formula: | C9H11BrN2O4 |
Canonical SMILES: | CC(C)(C)OC(=O)N1C=C(C(=O)NC1=O)Br |
InChI: | InChI=1S/C9H11BrN2O4/c1-9(2,3)16-8(15)12-4-5(10)6(13)11-7(12)14/h4H,1-3H3,(H,11,13,14) |
InChI Key: | LQVWNBHZZXYLBF-UHFFFAOYSA-N |
LogP: | 1.08230 |
Publication Number | Title | Priority Date |
EP-2875006-B1 | Acid ceramidase inhibitors and their use as medicaments | 20120528 |
US-2015111892-A1 | Acid ceramidase inhibitors and their use as medicaments | 20120528 |
US-9428465-B2 | Acid ceramidase inhibitors and their use as medicaments | 20120528 |
WO-2007122634-A2 | Pyrimidinediones as tyrosine kinase inhibitors | 20060424 |
Complexity: | 384 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 289.99022 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 289.99022 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 75.7 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.9 |
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