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
    2.4972   -0.4506    0.4205 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6612    0.2280   -0.3367 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2306    0.0891   -0.1138 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7129    0.7659   -0.8644 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0685    0.6466   -0.6676 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4695   -0.1805    0.3155 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5665   -0.8595    1.0704 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2444   -0.7199    0.8513 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5514   -0.3732    0.2854 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1448   -1.1076    1.2029 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0489    0.8677   -1.1005 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3424    1.4185   -1.6424 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7882    1.1880   -1.2695 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9416   -1.5125    1.8490 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