Free Chemical Databases
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[Synonyms]
Toxopyrimidine
pyramin
pyramine
Atoxopyrimidine
Pyrazan
Oxymethylpyrimidine
OMPM
Pyramine (VAN)
Pyramin (VAN)
hydroxymethylpyrimidine
[Structure]
[ Properties Computed from Structure]
Molecular Weight 139.15516 [g/mol] Molecular Formula C6H9N3O XLogP -0.4 H-Bond Donor 2 H-Bond Acceptor 4 Rotatable Bond Count 1 Tautomer Count 3 Exact Mass 139.074562 MonoIsotopic Mass 139.074562 Topological Polar Surface Area 72 Heavy Atom Count 10 Formal Charge 0 Complexity 109 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: (4-amino-2-methylpyrimidin-5-yl)methanol
Canonical SMILES: CC1=NC=C(C(=N1)N)CO
InChI: InChI=1/C6H9N3O/c1-4-8-2-5(3-10)6(7)9-4/h2,10H,3H2,1H3,(H2,7,8,9)/f/h7H2
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