Ethyl 4-Hydroxy-2-methylpyrimidine-5-carboxylate - CAS 53135-24-3
Catalog: |
BB028058 |
Product Name: |
Ethyl 4-Hydroxy-2-methylpyrimidine-5-carboxylate |
CAS: |
53135-24-3 |
Synonyms: |
2-methyl-6-oxo-1H-pyrimidine-5-carboxylic acid ethyl ester; ethyl 2-methyl-6-oxo-1H-pyrimidine-5-carboxylate |
IUPAC Name: | ethyl 2-methyl-6-oxo-1H-pyrimidine-5-carboxylate |
Description: | Ethyl 4-Hydroxy-2-methylpyrimidine-5-carboxylate (CAS# 53135-24-3) is a useful research chemical. |
Molecular Weight: | 182.18 |
Molecular Formula: | C8H10N2O3 |
Canonical SMILES: | CCOC(=O)C1=CN=C(NC1=O)C |
InChI: | InChI=1S/C8H10N2O3/c1-3-13-8(12)6-4-9-5(2)10-7(6)11/h4H,3H2,1-2H3,(H,9,10,11) |
InChI Key: | KTZQDIINDVWLES-UHFFFAOYSA-N |
Boiling Point: | 267.9 °C at 760 mmHg |
Density: | 1.28 g/cm3 |
MDL: | MFCD00223606 |
LogP: | 0.66730 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021197276-A1 | Amide compounds and uses thereof | 20200330 |
JP-2016108326-A | Pharmaceutical comprising cyclic aminomethylpyrimidine derivative | 20141128 |
EP-3006438-A1 | Cyclic aminomethyl pyrimidine derivative | 20130530 |
TW-201504227-A | Cyclic aminomethylpyrimidine derivative | 20130530 |
US-2016122319-A1 | Cyclic aminomethyl pyrimidine derivative | 20130530 |
Complexity: | 305 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 182.06914219 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 182.06914219 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 67.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.3 |
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