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1196886-57-3 | 6H-Pyrrolo[2,3-d]pyrimidin-6-one, 2-amino-4-chloro-5,7-dihydro-7-[(tetrahydro-2H-pyran-4-yl)methyl]-
CAS No: 1196886-57-3 Catalog No: AG000PG1 MDL No:
Product Description
Catalog Number:
AG000PG1
Chemical Name:
6H-Pyrrolo[2,3-d]pyrimidin-6-one, 2-amino-4-chloro-5,7-dihydro-7-[(tetrahydro-2H-pyran-4-yl)methyl]-
CAS Number:
1196886-57-3
Molecular Formula:
C12H15ClN4O2
Molecular Weight:
282.7261
IUPAC Name:
2-amino-4-chloro-7-(oxan-4-ylmethyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one
InChI:
InChI=1S/C12H15ClN4O2/c13-10-8-5-9(18)17(11(8)16-12(14)15-10)6-7-1-3-19-4-2-7/h7H,1-6H2,(H2,14,15,16)
InChI Key:
CHMLARXFDZEPSF-UHFFFAOYSA-N
SMILES:
O=C1Cc2c(N1CC1CCOCC1)nc(nc2Cl)N
Properties
Complexity:
351
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.088g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
282.728g/mol
Monoisotopic Mass:
282.088g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
81.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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