Methyl 3-(4,6-Dihydroxy-5-pyrimidyl)butanoate - CAS 1092460-40-6
Catalog: |
BB002415 |
Product Name: |
Methyl 3-(4,6-Dihydroxy-5-pyrimidyl)butanoate |
CAS: |
1092460-40-6 |
Synonyms: |
3-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)butanoic acid methyl ester; methyl 3-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)butanoate |
IUPAC Name: | methyl 3-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)butanoate |
Description: | Methyl 3-(4,6-Dihydroxy-5-pyrimidyl)butanoate (CAS# 1092460-40-6) is a useful research chemical. |
Molecular Weight: | 212.20 |
Molecular Formula: | C9H12N2O4 |
Canonical SMILES: | CC(CC(=O)OC)C1=C(N=CNC1=O)O |
InChI: | InChI=1S/C9H12N2O4/c1-5(3-6(12)15-2)7-8(13)10-4-11-9(7)14/h4-5H,3H2,1-2H3,(H2,10,11,13,14) |
InChI Key: | XLADYKVTZFVWDT-UHFFFAOYSA-N |
LogP: | 0.55440 |
Publication Number | Title | Priority Date |
WO-2020156437-A1 | Akt inhibitor | 20190129 |
KR-20210120054-A | AKT inhibitors | 20190129 |
EP-3068770-A1 | Processes for the preparation of pyrimidinylcyclopentane compounds | 20131115 |
EP-3068770-B1 | Processes for the preparation of pyrimidinylcyclopentane compounds | 20131115 |
EP-3656764-A1 | Processes for the preparation of pyrimidinylcyclopentane compounds | 20131115 |
Complexity: | 346 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 212.07970687 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 212.07970687 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 88 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.4 |
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