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
    2.4918    0.6566    0.0994 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6765   -0.3601   -0.1219 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2353   -0.1497   -0.0405 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6794   -1.1594   -0.2578 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0464   -0.9416   -0.1763 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4946    0.3031    0.1266 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6005    1.2855    0.3381 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2636    1.0651    0.2565 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0915    1.6454    0.3410 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5651    0.5777    0.0570 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0949   -1.3255   -0.3585 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3055   -2.1428   -0.4976 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7796   -1.7202   -0.3433 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9856    2.2660    0.5774 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