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
    2.3660    0.4041    1.1049 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1266    0.6052    1.4696 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0349    0.2035    0.7089 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1155   -0.4399   -0.4918 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0468   -0.8034   -1.1814 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2759   -0.5457   -0.7109 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3973    0.0846    0.4656 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3010    0.4441    1.1472 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1540    0.7549    1.7672 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5929   -0.0971    0.1707 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9310    1.1142    2.4187 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0714   -0.6880   -0.9470 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9015   -1.3164   -2.1384 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4000    0.2797    0.8212 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