6-(Chloromethyl)uracil - CAS 18592-13-7
Catalog: |
BB014250 |
Product Name: |
6-(Chloromethyl)uracil |
CAS: |
18592-13-7 |
Synonyms: |
6-(chloromethyl)-1H-pyrimidine-2,4-dione |
IUPAC Name: | 6-(chloromethyl)-1H-pyrimidine-2,4-dione |
Description: | 6-(Chloromethyl)uracil (CAS# 18592-13-7) is an alkali-resistant protein adsorbent, suitable for medical procedures. it is also used in the synthesis of chlorophenyl hydroxypiperidine analogs having anti-amylatic activity. |
Molecular Weight: | 160.56 |
Molecular Formula: | C5H5ClN2O2 |
Canonical SMILES: | C1=C(NC(=O)NC1=O)CCl |
InChI: | InChI=1S/C5H5ClN2O2/c6-2-3-1-4(9)8-5(10)7-3/h1H,2H2,(H2,7,8,9,10) |
InChI Key: | VCFXBAPEXBTNEA-UHFFFAOYSA-N |
Boiling Point: | 493.9 °C at 760 mmHg |
Density: | 1.393 g/cm3 |
MDL: | MFCD00010095 |
LogP: | -0.19800 |
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 |
CN-111840582-A | Medical ultrasonic patch and preparation method thereof | 20200309 |
WO-2020249652-A1 | Pyridyl or pyrimidyl mtor kinase inhibitors | 20190613 |
WO-2020245377-A1 | Hybridizing all-lna oligonucleotides | 20190607 |
CN-112028837-A | Tilpyrimidine intermediate compound | 20190603 |
WO-2020121334-A1 | An improved process for the preparation of tipiracil hydrochloride and intermediates thereof | 20181215 |
PMID | Publication Date | Title | Journal |
19396178 | 20090601 | Impact of linker strain and flexibility in the design of a fragment-based inhibitor | Nature chemical biology |
8080452 | 19940817 | Structure-activity relationship of ligands of uracil phosphoribosyltransferase from Toxoplasma gondii | Biochemical pharmacology |
Complexity: | 212 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 160.0039551 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 160.0039551 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 58.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.7 |
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