Monomers

4-Vinylpyrimidine

Identifiers

IUPAC name
4-ethenylpyrimidine
InchI
InChI=1S/C6H6N2/c1-2-6-3-4-7-5-8-6/h2-5H,1H2
InchI Key
UMKWZZPKADNTRP-UHFFFAOYSA-N
SMILES
C=Cc1ccncn1
Canonical SMILES
C=CC1=NC=NC=C1
Isomeric SMILES
C=CC1=NC=NC=C1
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C6H6N2
Heavy Atom Count
8
Molecular Weight
106.128
Exact Molecular Weight
106.0531
Valence Electrons
40
Radical Electrons
0
tPSA
25.78
MolLogP
1.1196
H Bond Acceptors
2
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
1
Aliphatic Rings
0
Aromatic Rings
1

MOL File


     RDKit          3D

 14 14  0  0  0  0  0  0  0  0999 V2000
   -2.4363    0.2026    0.2778 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4829   -0.6692    0.5106 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1085   -0.3679    0.1748 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2453    0.8230   -0.3910 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5931    1.0491   -0.6905 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4736    0.0889   -0.4092 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1397   -1.0774    0.1431 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8524   -1.3123    0.4373 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3186    1.1789   -0.1605 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4710   -0.0395    0.5372 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7708   -1.6247    0.9654 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4645    1.5972   -0.6179 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8617    2.0026   -1.1414 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8868   -1.8515    0.3644 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  3  1  0
  1  9  1  0
  1 10  1  0
  2 11  1  0
  4 12  1  0
  5 13  1  0
  7 14  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers