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749898-92-8 | Pyrimidine,2-chloro-4-(4-methyl-1-piperazinyl)-
CAS No: 749898-92-8 Catalog No: AG005F1E MDL No:
Product Description
Catalog Number:
AG005F1E
Chemical Name:
Pyrimidine,2-chloro-4-(4-methyl-1-piperazinyl)-
CAS Number:
749898-92-8
Molecular Formula:
C9H13ClN4
Molecular Weight:
212.6793
IUPAC Name:
2-chloro-4-(4-methylpiperazin-1-yl)pyrimidine
InChI:
InChI=1S/C9H13ClN4/c1-13-4-6-14(7-5-13)8-2-3-11-9(10)12-8/h2-3H,4-7H2,1H3
InChI Key:
DLSDRFQCEQEWGN-UHFFFAOYSA-N
SMILES:
CN1CCN(CC1)c1ccnc(n1)Cl
Properties
Complexity:
182
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.083g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
212.681g/mol
Monoisotopic Mass:
212.083g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
Literature
| Title | Journal |
|---|---|
| Probing cell-division phenotype space and Polo-like kinase function using small molecules. | Nature chemical biology 20061101 |
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