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
   -2.5103    0.2808    0.2360 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5687   -0.5959   -0.0367 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1836   -0.1442   -0.0221 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8080   -1.0792   -0.3122 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1108   -0.6258   -0.2916 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3946    0.6614   -0.0032 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4247    1.5485    0.2741 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1504    1.1108    0.2553 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2555    1.2884    0.4596 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5692    0.0222    0.2455 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8446   -1.6146   -0.2615 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5225   -2.0935   -0.5353 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8786   -1.3565   -0.5179 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6422    2.5974    0.5101 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