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83285-96-5 | 6-(aziridin-1-yl)-9-(tetrahydro-2h-pyran-2-yl)-9h-purine
CAS No: 83285-96-5 Catalog No: AG0055VD MDL No:
Product Description
Catalog Number:
AG0055VD
Chemical Name:
6-(aziridin-1-yl)-9-(tetrahydro-2h-pyran-2-yl)-9h-purine
CAS Number:
83285-96-5
Molecular Formula:
C12H15N5O
Molecular Weight:
245.2804
IUPAC Name:
6-(aziridin-1-yl)-9-(oxan-2-yl)purine
InChI:
InChI=1S/C12H15N5O/c1-2-6-18-9(3-1)17-8-15-10-11(16-4-5-16)13-7-14-12(10)17/h7-9H,1-6H2
InChI Key:
WLVKVDQENOQPSD-UHFFFAOYSA-N
SMILES:
C1CCC(OC1)n1cnc2c1ncnc2N1CC1
NSC Number:
34491
Properties
Complexity:
311
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.128g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
245.286g/mol
Monoisotopic Mass:
245.128g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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