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1245642-85-6 | 4(3H)-PyriMidinone, 5-Methyl-2-[[3-(4-Methyl-1-piperazinyl)phenyl]aMino]-
CAS No: 1245642-85-6 Catalog No: AG000M8M MDL No:
Product Description
Catalog Number:
AG000M8M
Chemical Name:
4(3H)-PyriMidinone, 5-Methyl-2-[[3-(4-Methyl-1-piperazinyl)phenyl]aMino]-
CAS Number:
1245642-85-6
Molecular Formula:
C16H21N5O
Molecular Weight:
299.3708
IUPAC Name:
5-methyl-2-[3-(4-methylpiperazin-1-yl)anilino]-1H-pyrimidin-6-one
InChI:
InChI=1S/C16H21N5O/c1-12-11-17-16(19-15(12)22)18-13-4-3-5-14(10-13)21-8-6-20(2)7-9-21/h3-5,10-11H,6-9H2,1-2H3,(H2,17,18,19,22)
InChI Key:
RHBJSWCKGXGDKN-UHFFFAOYSA-N
SMILES:
CN1CCN(CC1)c1cccc(c1)Nc1ncc(c(=O)[nH]1)C
Properties
Complexity:
479
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.175g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
299.378g/mol
Monoisotopic Mass:
299.175g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
60A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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