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
    2.5000   -0.5409    0.0011 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5723    0.2189   -0.5297 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1914    0.0898   -0.1244 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7721    0.8899   -0.6860 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0820    0.7297   -0.2658 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3906   -0.1810    0.6613 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4402   -0.9506    1.1967 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1604   -0.8094    0.8006 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5079   -0.4432   -0.2980 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2335   -1.2699    0.7474 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8459    0.9611   -1.2899 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4499    1.6019   -1.4274 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8091    1.3803   -0.7340 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7469   -1.6767    1.9482 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