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6-iodopyrimidin-4-amine

6-iodopyrimidin-4-amine

CAS: 53557-69-0

Formula: C4H4IN3

SMILES: NC1=NC=NC(I)=C1

IUPAC: 6-iodopyrimidin-4-amine

InChI: InChI=1S/C4H4IN3/c5-3-1-4(6)8-2-7-3/h1-2H,(H2,6,7,8)

Composition: C (21.74%), H (1.82%), I (57.42%), N (19.01%)

Molar Mass: 221.001

Atom Count: 12

Heavy Atom Count: 8

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 220.94499
Formal Charge 0
FSP3 0
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey LQSJUQMCZHVKES-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 40.81
Topological Polar Surface Area 51.8
Polarizability 15.15
Ring Count 1
Rotatable Bond Count 0

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