2-chloro-6-methyl-9H-purine

2-chloro-6-methyl-9H-purine

CAS: 1681-19-2

Formula: C6H5ClN4

SMILES: CC1=C2N=CNC2=NC(Cl)=N1

IUPAC: 2-chloro-6-methyl-9H-purine

InChI: InChI=1S/C6H5ClN4/c1-3-4-5(9-2-8-4)11-6(7)10-3/h2H,1H3,(H,8,9,10,11)

Composition: C (42.75%), H (2.99%), Cl (21.03%), N (33.23%)

Molar Mass: 168.58

Atom Count: 16

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	168.0202739
Formal Charge	0
FSP3	0.17
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	GSWWRXJYHSJFHJ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	41.68
Topological Polar Surface Area	54.46
Polarizability	16.01
Ring Count	2
Rotatable Bond Count	0

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