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1245649-22-2 | 4(3H)-PyriMidinone, 6-aMino-5-(2,2-diethoxyethyl)-2-[[4-(4-Methyl-1-piperazinyl)phenyl]aMino]-
CAS No: 1245649-22-2 Catalog No: AG000MDH MDL No:
Product Description
Catalog Number:
AG000MDH
Chemical Name:
4(3H)-PyriMidinone, 6-aMino-5-(2,2-diethoxyethyl)-2-[[4-(4-Methyl-1-piperazinyl)phenyl]aMino]-
CAS Number:
1245649-22-2
Molecular Formula:
C21H32N6O3
Molecular Weight:
416.5172
IUPAC Name:
4-amino-5-(2,2-diethoxyethyl)-2-[4-(4-methylpiperazin-1-yl)anilino]-1H-pyrimidin-6-one
InChI:
InChI=1S/C21H32N6O3/c1-4-29-18(30-5-2)14-17-19(22)24-21(25-20(17)28)23-15-6-8-16(9-7-15)27-12-10-26(3)11-13-27/h6-9,18H,4-5,10-14H2,1-3H3,(H4,22,23,24,25,28)
InChI Key:
PPWDTMNEGXYUDI-UHFFFAOYSA-N
SMILES:
CCOC(Cc1c(N)nc([nH]c1=O)Nc1ccc(cc1)N1CCN(CC1)C)OCC
Properties
Complexity:
631
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
416.254g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
416.526g/mol
Monoisotopic Mass:
416.254g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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