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
    2.3744    0.5989    0.5139 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5983   -0.4402    0.4066 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1972   -0.3745    0.0732 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4007    0.8372   -0.1542 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7538    0.8408   -0.4719 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4583   -0.2949   -0.5554 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8667   -1.4880   -0.3309 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5636   -1.5087   -0.0237 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0126    1.5903    0.3577 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4142    0.4522    0.7683 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0086   -1.4422    0.5749 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1390    1.7964   -0.0966 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2136    1.7999   -0.6487 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4875   -2.3672   -0.4133 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