Ethyl 2-chloro-4-methylpyrimidine-5-carboxylate - CAS 188781-08-0
Catalog: |
BB014547 |
Product Name: |
Ethyl 2-chloro-4-methylpyrimidine-5-carboxylate |
CAS: |
188781-08-0 |
Synonyms: |
2-Chloro-5-(ethoxycarbonyl)-4-methylpyrimidine |
IUPAC Name: | ethyl 2-chloro-4-methylpyrimidine-5-carboxylate |
Description: | Ethyl 2-chloro-4-methylpyrimidine-5-carboxylate (CAS# 188781-08-0) is a useful research chemical compound. |
Molecular Weight: | 200.62 |
Molecular Formula: | C8H9ClN2O2 |
Canonical SMILES: | CCOC(=O)C1=CN=C(N=C1C)Cl |
InChI: | InChI=1S/C8H9ClN2O2/c1-3-13-7(12)6-4-10-8(9)11-5(6)2/h4H,3H2,1-2H3 |
InChI Key: | XJNJPQSXRUJCIB-UHFFFAOYSA-N |
Boiling Point: | 302.7±22.0 ℃ (Predicted) |
Density: | 1.265 g/cm3 |
Appearance: | Solid |
LogP: | 1.61510 |
GHS Hazard Statement: | H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-2021292301-A1 | Heteroaromatic carboxamide derivatives as plasma kallikrein inhibitors | 20200213 |
WO-2021160718-A1 | Heteroaromatic carboxamide derivatives as plasma kallikrein inhibitors | 20200213 |
US-2020377463-A1 | Macrocyclic broad spectrum antibiotics | 20190528 |
WO-2020243155-A1 | Macrocyclic broad spectrum antibiotics | 20190528 |
WO-2020230134-A1 | Acss2 inhibitors and methods of use thereof | 20190514 |
PMID | Publication Date | Title | Journal |
21450375 | 20110601 | Facile transformation of Biginelli pyrimidin-2(1H)-ones to pyrimidines. In vitro evaluation as inhibitors of Mycobacterium tuberculosis and modulators of cytostatic activity | European journal of medicinal chemistry |
Complexity: | 189 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 200.0352552 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 200.0352552 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 52.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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