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1142947-81-6 | 7H-Pyrrolo[2,3-d]pyriMidin-2-aMine, 4-chloro-N-[3-(4-Methyl-1-piperazinyl)phenyl]-
CAS No: 1142947-81-6 Catalog No: AG000AZS MDL No:
Product Description
Catalog Number:
AG000AZS
Chemical Name:
7H-Pyrrolo[2,3-d]pyriMidin-2-aMine, 4-chloro-N-[3-(4-Methyl-1-piperazinyl)phenyl]-
CAS Number:
1142947-81-6
Molecular Formula:
C17H19ClN6
Molecular Weight:
342.8260
IUPAC Name:
4-chloro-N-[3-(4-methylpiperazin-1-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine
InChI:
InChI=1S/C17H19ClN6/c1-23-7-9-24(10-8-23)13-4-2-3-12(11-13)20-17-21-15(18)14-5-6-19-16(14)22-17/h2-6,11H,7-10H2,1H3,(H2,19,20,21,22)
InChI Key:
SHRRXEVIRXOAEB-UHFFFAOYSA-N
SMILES:
CN1CCN(CC1)c1cccc(c1)Nc1nc(Cl)c2c(n1)[nH]cc2
Properties
Complexity:
416
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
342.136g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
342.831g/mol
Monoisotopic Mass:
342.136g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
60.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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