5-iodo-2,4-dimethoxypyrimidine

5-iodo-2,4-dimethoxypyrimidine

CAS: 52522-99-3

Formula: C6H7IN2O2

SMILES: COC1=NC(OC)=C(I)C=N1

IUPAC: 5-iodo-2,4-dimethoxypyrimidine

InChI: InChI=1S/C6H7IN2O2/c1-10-5-4(7)3-8-6(9-5)11-2/h3H,1-2H3

Composition: C (27.09%), H (2.65%), I (47.70%), N (10.53%), O (12.03%)

Molar Mass: 266.038

Atom Count: 18

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	265.95522
Formal Charge	0
FSP3	0.33
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	KNTMOGOYRYYUIE-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	49.27
Topological Polar Surface Area	44.24
Polarizability	19.05
Ring Count	1
Rotatable Bond Count	2

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