Free Chemical Databases
-
[Synonyms]
NSC643921
AIDS138049
AIDS-138049
1-(2-Hydroxycyclohexyl)-5-methyl-2,4(1H,3H)-pyrimidinedione
[Structure]
[ Properties Computed from Structure]
Molecular Weight 224.25634 [g/mol] Molecular Formula C11H16N2O3 XLogP 0 H-Bond Donor 2 H-Bond Acceptor 3 Rotatable Bond Count 1 Tautomer Count 3 Exact Mass 224.116092 MonoIsotopic Mass 224.116092 Topological Polar Surface Area 69.6 Heavy Atom Count 16 Formal Charge 0 Complexity 351 Isotope Atom Count 0 Defined Atom StereoCenter Count 0 Undefined Atom StereoCenter Count 2 Defined Bond StereoCenter Count 0 Undefined Bond StereoCenter Count 0 Covalently-Bonded Unit Count 1
[ Descriptors Computed from Structure]
IUPAC Name: 1-(2-hydroxycyclohexyl)-5-methylpyrimidine-2,4-dione
Canonical SMILES: CC1=CN(C(=O)NC1=O)C2CCCCC2O
InChI: InChI=1/C11H16N2O3/c1-7-6-13(11(16)12-10(7)15)8-4-2-3-5-9(8)14/h6,8-9,
14H,2-5H2,1H3,(H,12,15,16)/f/h12H
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