5-Pyrimidineacetic Acid - CAS 5267-07-2
Catalog: |
BB027901 |
Product Name: |
5-Pyrimidineacetic Acid |
CAS: |
5267-07-2 |
Synonyms: |
2-(5-pyrimidinyl)acetic acid; 2-pyrimidin-5-ylacetic acid |
IUPAC Name: | 2-pyrimidin-5-ylacetic acid |
Description: | (Pyrimidin-5-yl)acetic Acid was used in the study of preparation of benzimidazolone muscarinic antagonists, for potential treatment and/or prevention of myopia (nearsightedness). It was also used to prepare fused imidazole derivatives. |
Molecular Weight: | 138.12 |
Molecular Formula: | C6H6N2O2 |
Canonical SMILES: | C1=C(C=NC=N1)CC(=O)O |
InChI: | InChI=1S/C6H6N2O2/c9-6(10)1-5-2-7-4-8-3-5/h2-4H,1H2,(H,9,10) |
InChI Key: | HEEUMCHKVXTQIP-UHFFFAOYSA-N |
Boiling Point: | 315.1 ℃ at 760 mmHg |
Density: | 1.336 g/cm3 |
Appearance: | Yellow to brown powder |
MDL: | MFCD09608122 |
LogP: | 0.10370 |
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 |
WO-2020085234-A1 | Morphinan derivative | 20181022 |
TW-201841917-A | å?²å"šAHR inhibitor and its use | 20170421 |
AU-2017263283-A1 | Modulators of indoleamine 2,3-dioxygenase | 20160512 |
CA-3023034-A1 | Modulators of indoleamine 2,3-dioxygenase | 20160512 |
EP-3455220-A1 | Modulators of indoleamine 2,3-dioxygenase | 20160512 |
Complexity: | 121 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 138.042927438 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 138.042927438 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 63.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.3 |
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