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
   -2.3823    0.4932    0.8593 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5754   -0.4709    0.4993 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2052   -0.1420    0.0581 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6743   -1.1294   -0.3286 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9476   -0.8116   -0.7377 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3050    0.4821   -0.7485 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4775    1.4604   -0.3804 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2339    1.1240    0.0169 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0342    1.5017    0.8272 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3727    0.2417    1.1770 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8941   -1.5206    0.5177 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3624   -2.1502   -0.3099 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6543   -1.5824   -1.0465 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8089    2.5040   -0.4039 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