4-Chloro-2-methylpyrimidine - CAS 4994-86-9
Catalog: |
BB026866 |
Product Name: |
4-Chloro-2-methylpyrimidine |
CAS: |
4994-86-9 |
Synonyms: |
4-chloro-2-methylpyrimidine; 4-chloro-2-methylpyrimidine |
IUPAC Name: | 4-chloro-2-methylpyrimidine |
Description: | 4-Chloro-2-methylpyrimidine (CAS# 4994-86-9) is a reagent in the preparation of (pyridylmethyl)-/(pyrimidin-4-ylmethyl)-dihydroquinolines as antagonists against CXCR4. |
Molecular Weight: | 128.56 |
Molecular Formula: | C5H5ClN2 |
Canonical SMILES: | CC1=NC=CC(=N1)Cl |
InChI: | InChI=1S/C5H5ClN2/c1-4-7-3-2-5(6)8-4/h2-3H,1H3 |
InChI Key: | WDTVJRYCMIZPMX-UHFFFAOYSA-N |
Boiling Point: | 169.319 °C at 760 mmHg |
Density: | 1.235 g/cm3 |
MDL: | MFCD00234069 |
LogP: | 1.43840 |
GHS Hazard Statement: | H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
WO-2021203007-A1 | Substituted 5-hydroxyindole compounds as modulators of alpha-1 antitrypsin | 20200403 |
WO-2021155316-A1 | Compounds and uses thereof | 20200129 |
US-2021188845-A1 | Substituted bicyclic compounds useful as t cell activators | 20191223 |
WO-2021105481-A1 | Novel compounds for treatment of diseases related to dux4 expression | 20191129 |
CN-110483493-A | A kind of diazole analog derivative and its preparation method and application | 20190919 |
Complexity: | 76.8 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 128.0141259 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 128.0141259 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 25.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Other Pyrimidines
Customers Also Viewed
INDUSTRY LEADERS TRUST OUR PRODUCTS