Methyl 2,4-Dichloro-6-methylpyrimidine-5-carboxylate - CAS 36745-93-4
Catalog: |
BB023060 |
Product Name: |
Methyl 2,4-Dichloro-6-methylpyrimidine-5-carboxylate |
CAS: |
36745-93-4 |
Synonyms: |
2,4-dichloro-6-methyl-5-pyrimidinecarboxylic acid methyl ester; methyl 2,4-dichloro-6-methylpyrimidine-5-carboxylate |
IUPAC Name: | methyl 2,4-dichloro-6-methylpyrimidine-5-carboxylate |
Description: | Methyl 2,4-Dichloro-6-methylpyrimidine-5-carboxylate (CAS# 36745-93-4) is used in preparation of 4,6,7-Trisubstituted 1,2-dihydropyrrol[3,4-c]pyridin/pyrimidin-3 -one derivatives useful as Btk kinase inhibitors. |
Molecular Weight: | 221.04 |
Molecular Formula: | C7H6Cl2N2O2 |
Canonical SMILES: | CC1=C(C(=NC(=N1)Cl)Cl)C(=O)OC |
InChI: | InChI=1S/C7H6Cl2N2O2/c1-3-4(6(12)13-2)5(8)11-7(9)10-3/h1-2H3 |
InChI Key: | LJPTXNUMWNYLDV-UHFFFAOYSA-N |
Appearance: | Pale yellow to yellow brown solid |
LogP: | 1.87840 |
Publication Number | Title | Priority Date |
CN-110872297-A | Aminopyrimidine five-membered heterocyclic compound, intermediate thereof, preparation method, pharmaceutical composition and application | 20180904 |
WO-2020048347-A1 | Aminopyrimido five-membered heterocyclic compound, and intermediate thereof, preparation method therefor, pharmaceutical composition thereof and application thereof | 20180904 |
TW-202024092-A | Aminopyrimidine fused five-membered heterocyclic compound, intermediate thereof, and manufacturing method, pharmaceutical composition and application thereof | 20180904 |
US-2020048248-A1 | Aniline-substituted 1,2-dihydropyrrol[3,4-c]pyridin/pyrimidin-3-one derivative and use thereof | 20170928 |
WO-2019062328-A1 | Aniline-substituted 1,2-dihydropyrrolo[3,4-c]pyridine/pyrimidin-3-one derivative and use thereof | 20170928 |
Complexity: | 203 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 219.9806328 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 219.9806328 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 52.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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