Free Chemical Databases
-
[Synonyms]
NSC43268
6303-39-5
[Structure]
[ Properties Computed from Structure]
Molecular Weight 269.1299 [g/mol] Molecular Formula C11H10Cl2N4 XLogP 3.1 H-Bond Donor 2 H-Bond Acceptor 4 Rotatable Bond Count 2 Tautomer Count 9 Exact Mass 268.028252 MonoIsotopic Mass 268.028252 Topological Polar Surface Area 63.8 Heavy Atom Count 17 Formal Charge 0 Complexity 254 Isotope Atom Count 0 Defined Atom StereoCenter Count 0 Undefined Atom StereoCenter Count 0 Defined Bond StereoCenter Count 0 Undefined Bond StereoCenter Count 0 Covalently-Bonded Unit Count 1
[ Descriptors Computed from Structure]
IUPAC Name: N'-(3,4-dichlorophenyl)-6-methylpyrimidine-2,4-diamine
Canonical SMILES: CC1=CC(=NC(=N1)N)NC2=CC(=C(C=C2)Cl)Cl
InChI: InChI=1/C11H10Cl2N4/c1-6-4-10(17-11(14)15-6)16-7-2-3-8(12)9(13)5-7/h2-
5H,1H3,(H3,14,15,16,17)/f/h16H,14H2
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