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1196886-83-5 | 6H-Pyrrolo[2,3-d]pyrimidin-6-one, 2-amino-4-chloro-5,7-dihydro-7-[(1-methyl-1H-pyrazol-3-yl)methyl]-
CAS No: 1196886-83-5 Catalog No: AG000PFY MDL No:
Product Description
Catalog Number:
AG000PFY
Chemical Name:
6H-Pyrrolo[2,3-d]pyrimidin-6-one, 2-amino-4-chloro-5,7-dihydro-7-[(1-methyl-1H-pyrazol-3-yl)methyl]-
CAS Number:
1196886-83-5
Molecular Formula:
C11H11ClN6O
Molecular Weight:
278.6976
IUPAC Name:
2-amino-4-chloro-7-[(1-methylpyrazol-3-yl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one
InChI:
InChI=1S/C11H11ClN6O/c1-17-3-2-6(16-17)5-18-8(19)4-7-9(12)14-11(13)15-10(7)18/h2-3H,4-5H2,1H3,(H2,13,14,15)
InChI Key:
HXCLEFLBRIQJPU-UHFFFAOYSA-N
SMILES:
O=C1Cc2c(N1Cc1ccn(n1)C)nc(nc2Cl)N
Properties
Complexity:
369
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.068g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
278.7g/mol
Monoisotopic Mass:
278.068g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
89.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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