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1142946-17-5 | 7H-Pyrrolo[2,3-d]pyriMidin-2-aMine, 4-chloro-N-[4-(4-Methyl-1-piperazinyl)phenyl]-
CAS No: 1142946-17-5 Catalog No: AG000AZW MDL No:
Product Description
Catalog Number:
AG000AZW
Chemical Name:
7H-Pyrrolo[2,3-d]pyriMidin-2-aMine, 4-chloro-N-[4-(4-Methyl-1-piperazinyl)phenyl]-
CAS Number:
1142946-17-5
Molecular Formula:
C17H19ClN6
Molecular Weight:
342.8260
IUPAC Name:
4-chloro-N-[4-(4-methylpiperazin-1-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine
InChI:
InChI=1S/C17H19ClN6/c1-23-8-10-24(11-9-23)13-4-2-12(3-5-13)20-17-21-15(18)14-6-7-19-16(14)22-17/h2-7H,8-11H2,1H3,(H2,19,20,21,22)
InChI Key:
RBEBSZBVRGALMI-UHFFFAOYSA-N
SMILES:
CN1CCN(CC1)c1ccc(cc1)Nc1nc(Cl)c2c(n1)[nH]cc2
Properties
Complexity:
408
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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