2-chloro-N-methyl-7H-purin-6-amine

2-chloro-N-methyl-7H-purin-6-amine

CAS: 82499-02-3

Formula: C6H6ClN5

SMILES: CNC1=C2NC=NC2=NC(Cl)=N1

IUPAC: 2-chloro-N-methyl-7H-purin-6-amine

InChI: InChI=1S/C6H6ClN5/c1-8-4-3-5(10-2-9-3)12-6(7)11-4/h2H,1H3,(H2,8,9,10,11,12)

Composition: C (39.25%), H (3.29%), Cl (19.31%), N (38.15%)

Molar Mass: 183.6

Atom Count: 18

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	183.0311729
Formal Charge	0
FSP3	0.17
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	RIAVUEFUPHOGJY-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	49.21
Topological Polar Surface Area	66.49
Polarizability	17.24
Ring Count	2
Rotatable Bond Count	1

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