4-Chloro-5-methyl-2-(methylthio)pyrimidine - CAS 61044-96-0
Catalog: |
BB030919 |
Product Name: |
4-Chloro-5-methyl-2-(methylthio)pyrimidine |
CAS: |
61044-96-0 |
Synonyms: |
4-chloro-5-methyl-2-(methylthio)pyrimidine; 4-chloro-5-methyl-2-methylsulfanylpyrimidine |
IUPAC Name: | 4-chloro-5-methyl-2-methylsulfanylpyrimidine |
Description: | 4-Chloro-5-methyl-2-(methylthio)pyrimidine (CAS# 61044-96-0) is a useful reactant in the preparation of 1,2-dihydropyrimido[4,5-c]pyridazine based inhibitor for lymphocyte specific kinase (Lck). |
Molecular Weight: | 174.65 |
Molecular Formula: | C6H7ClN2S |
Canonical SMILES: | CC1=CN=C(N=C1Cl)SC |
InChI: | InChI=1S/C6H7ClN2S/c1-4-3-8-6(10-2)9-5(4)7/h3H,1-2H3 |
InChI Key: | QZXWPYARYIQHIS-UHFFFAOYSA-N |
Boiling Point: | 262.5 °C at 760 mmHg |
Density: | 1.3 g/cm3 |
LogP: | 2.16030 |
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 |
WO-2021110893-A1 | Process and intermediates for the production of formula (i) | 20191205 |
US-2021128556-A1 | Aminopyrimidine amide autophagy inhibitors and methods of use thereof | 20190617 |
WO-2020238776-A1 | Substituted fused bicyclic derivative, preparation method therefor, and application thereof in medicines | 20190524 |
WO-2020228817-A1 | Erk inhibitor and use thereof | 20190515 |
WO-2020200069-A1 | Pyrroloheterocyclic derivative, preparation method therefor, and application thereof in medicine | 20190329 |
Complexity: | 112 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 174.0018471 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 174.0018471 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 51.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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