Home Halogens 4-(6-chloropyrimidin-4-yl)-1-methylpiperazin-2-one

4-(6-chloropyrimidin-4-yl)-1-methylpiperazin-2-one

CAS No.:
945896-90-2
Catalog Number:
AG01ABWY
Molecular Formula:
C9H11ClN4O
Molecular Weight:
226.6628
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Product Description
Catalog Number:
AG01ABWY
Chemical Name:
4-(6-chloropyrimidin-4-yl)-1-methylpiperazin-2-one
CAS Number:
945896-90-2
Molecular Formula:
C9H11ClN4O
Molecular Weight:
226.6628
MDL Number:
MFCD09757014
IUPAC Name:
4-(6-chloropyrimidin-4-yl)-1-methylpiperazin-2-one
InChI:
InChI=1S/C9H11ClN4O/c1-13-2-3-14(5-9(13)15)8-4-7(10)11-6-12-8/h4,6H,2-3,5H2,1H3
InChI Key:
BJDMFQAQPNEDDT-UHFFFAOYSA-N
SMILES:
O=C1CN(CCN1C)c1ncnc(c1)Cl
Properties
Complexity:
250  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.062g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
226.664g/mol
Monoisotopic Mass:
226.062g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties