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1142947-80-5 | 4H-Pyrrolo[2,3-d]pyriMidin-4-one, 3,7-dihydro-2-[[3-(4-Methyl-1-piperazinyl)phenyl]aMino]-
CAS No: 1142947-80-5 Catalog No: AG000AZT MDL No:
Product Description
Catalog Number:
AG000AZT
Chemical Name:
4H-Pyrrolo[2,3-d]pyriMidin-4-one, 3,7-dihydro-2-[[3-(4-Methyl-1-piperazinyl)phenyl]aMino]-
CAS Number:
1142947-80-5
Molecular Formula:
C17H20N6O
Molecular Weight:
324.3803
IUPAC Name:
2-[3-(4-methylpiperazin-1-yl)anilino]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
InChI:
InChI=1S/C17H20N6O/c1-22-7-9-23(10-8-22)13-4-2-3-12(11-13)19-17-20-15-14(5-6-18-15)16(24)21-17/h2-6,11H,7-10H2,1H3,(H3,18,19,20,21,24)
InChI Key:
XVNCGMKUADYYKF-UHFFFAOYSA-N
SMILES:
CN1CCN(CC1)c1cccc(c1)Nc1[nH]c(=O)c2c(n1)[nH]cc2
Properties
Complexity:
501
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
324.17g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
324.388g/mol
Monoisotopic Mass:
324.17g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
75.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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