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
   -2.0101    0.1643    1.3685 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6006   -0.4933    0.3302 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2858   -0.2736   -0.2383 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6067    0.6325    0.2737 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8685    0.7947   -0.3296 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1804    0.0533   -1.4058 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3175   -0.8391   -1.9203 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1294   -0.9777   -1.3355 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000   -0.0329    1.7588 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4188    0.8894    1.8556 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2750   -1.2197   -0.1060 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3668    1.2258    1.1289 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5241    1.5135    0.1096 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5969   -1.4373   -2.8062 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