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5-bromo-N-(furan-2-ylmethyl)pyrimidin-2-amine

5-bromo-N-(furan-2-ylmethyl)pyrimidin-2-amine

CAS: 886366-01-4

Formula: C9H8BrN3O

SMILES: BrC1=CN=C(NCC2=CC=CO2)N=C1

IUPAC: 5-bromo-N-[(furan-2-yl)methyl]pyrimidin-2-amine

InChI: InChI=1S/C9H8BrN3O/c10-7-4-11-9(12-5-7)13-6-8-2-1-3-14-8/h1-5H,6H2,(H,11,12,13)

Composition: C (42.54%), H (3.17%), Br (31.45%), N (16.54%), O (6.30%)

Molar Mass: 254.087

Atom Count: 22

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 252.985075
Formal Charge 0
FSP3 0.11
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey ADUNIMSRQPQYHF-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 57.49
Topological Polar Surface Area 50.95
Polarizability 20.91
Ring Count 2
Rotatable Bond Count 3

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