2-Amino-4-hydroxy-6-trifluoromethylpyrimidine - CAS 1513-69-5
Catalog: |
BB010659 |
Product Name: |
2-Amino-4-hydroxy-6-trifluoromethylpyrimidine |
CAS: |
1513-69-5 |
Synonyms: |
2-amino-4-(trifluoromethyl)-1H-pyrimidin-6-one |
IUPAC Name: | 2-amino-4-(trifluoromethyl)-1H-pyrimidin-6-one |
Description: | 2-Amino-4-hydroxy-6-trifluoromethylpyrimidine (CAS# 1513-69-5) is a useful research chemical. |
Molecular Weight: | 179.10 |
Molecular Formula: | C5H4F3N3O |
Canonical SMILES: | C1=C(N=C(NC1=O)N)C(F)(F)F |
InChI: | InChI=1S/C5H4F3N3O/c6-5(7,8)2-1-3(12)11-4(9)10-2/h1H,(H3,9,10,11,12) |
InChI Key: | ZEPSVMLZBXDPGU-UHFFFAOYSA-N |
Boiling Point: | 187 °C at 760 mmHg |
Density: | 1.75 g/cm3 |
Solubility: | 22.8 [ug/mL] (The mean of the results at pH 7.4) |
MDL: | MFCD00068093 |
LogP: | 1.36440 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-2021188874-A1 | Heterocyclic compounds as delta-5 desaturase inhibitors and methods of use | 20191125 |
US-2021221824-A1 | Heterocyclic compounds as delta-5 desaturase inhibitors and methods of use | 20191125 |
WO-2021108408-A1 | Heterocyclic compounds as delta-5 desaturase inhibitors and methods of use | 20191125 |
CN-108162528-A | A kind of novel high-performance antibacterial antifogging film | 20171222 |
CN-108162528-B | Novel high-performance antibacterial antifogging film | 20171222 |
PMID | Publication Date | Title | Journal |
18282798 | 20081115 | Simulation of IR and Raman spectral based on scaled DFT force fields: a case study of 2-amino 4-hydroxy 6-trifluoromethylpyrimidine, with emphasis on band assignment | Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy |
Complexity: | 278 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 179.03064625 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 179.03064625 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 67.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.4 |
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