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2-chloro-N-(furan-2-ylmethyl)-7H-purin-6-amine

2-chloro-N-(furan-2-ylmethyl)-7H-purin-6-amine

CAS: 101862-47-9

Formula: C10H8ClN5O

SMILES: ClC1=NC(NCC2=CC=CO2)=C2NC=NC2=N1

IUPAC: 2-chloro-N-[(furan-2-yl)methyl]-7H-purin-6-amine

InChI: InChI=1S/C10H8ClN5O/c11-10-15-8(7-9(16-10)14-5-13-7)12-4-6-2-1-3-17-6/h1-3,5H,4H2,(H2,12,13,14,15,16)

Composition: C (48.11%), H (3.23%), Cl (14.20%), N (28.05%), O (6.41%)

Molar Mass: 249.66

Atom Count: 25

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 249.0417376
Formal Charge 0
FSP3 0.1
Hetero Ring Count 3
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey QGUOPVCOXHVPJX-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 66.21
Topological Polar Surface Area 79.63
Polarizability 23.7
Ring Count 3
Rotatable Bond Count 3

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