Free Chemical Databases
-
[Synonyms]
NSC168999
[Structure]
[ Properties Computed from Structure]
Molecular Weight 222.24376 [g/mol] Molecular Formula C10H14N4O2 XLogP 0 H-Bond Donor 1 H-Bond Acceptor 4 Rotatable Bond Count 4 Tautomer Count 3 Exact Mass 222.111676 MonoIsotopic Mass 222.111676 Topological Polar Surface Area 65 Heavy Atom Count 16 Formal Charge 0 Complexity 371 Isotope Atom Count 0 Defined Atom StereoCenter Count 0 Undefined Atom StereoCenter Count 0 Defined Bond StereoCenter Count 0 Undefined Bond StereoCenter Count 1 Covalently-Bonded Unit Count 1
[ Descriptors Computed from Structure]
IUPAC Name: N'-(2,6-dioxo-3-prop-2-enylpyrimidin-4-yl)-N,N-dimethylmethanimidamide
Canonical SMILES: CN(C)C=NC1=CC(=O)NC(=O)N1CC=C
InChI: InChI=1/C10H14N4O2/c1-4-5-14-8(11-7-13(2)3)6-9(15)12-10(14)16/h4,6-7H,1,
5H2,2-3H3,(H,12,15,16)/b11-7+/f/h12H
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