3-(2-Chloro-4-pyrimidinyl)aniline - CAS 859516-82-8
Catalog: |
BB037774 |
Product Name: |
3-(2-Chloro-4-pyrimidinyl)aniline |
CAS: |
859516-82-8 |
Synonyms: |
3-(2-chloro-4-pyrimidinyl)aniline; 3-(2-chloropyrimidin-4-yl)aniline |
IUPAC Name: | 3-(2-chloropyrimidin-4-yl)aniline |
Description: | 3-(2-Chloro-4-pyrimidinyl)aniline (CAS# 859516-82-8) is a useful research chemical. |
Molecular Weight: | 205.64 |
Molecular Formula: | C10H8ClN3 |
Canonical SMILES: | C1=CC(=CC(=C1)N)C2=NC(=NC=C2)Cl |
InChI: | InChI=1S/C10H8ClN3/c11-10-13-5-4-9(14-10)7-2-1-3-8(12)6-7/h1-6H,12H2 |
InChI Key: | NQVOVPVTEXLMHI-UHFFFAOYSA-N |
LogP: | 2.96040 |
Publication Number | Title | Priority Date |
WO-2009112439-A1 | 4-aryl-2-anilino-pyrimidines as plk kinase inhibitors | 20080310 |
EP-2200436-B1 | Substituted pyrimidinyl-amines as protein kinase inhibitors | 20070904 |
CA-2559888-A1 | 2-(amino-substituted)-4-aryl pyramidines and related compounds useful for treating inflammatory diseases | 20040108 |
EP-1701944-A2 | 2-(amino-substituted)-4-aryl pyramidines and related compounds useful for treating inflammatory diseases | 20040108 |
EP-1701944-B1 | 2-(amino-substituted)-4-aryl pyramidines and related compounds useful for treating inflammatory diseases | 20040108 |
Complexity: | 188 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 205.040675 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 205.040675 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 51.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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