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
   -2.4413    0.4666   -0.1810 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6485   -0.5633   -0.0104 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2099   -0.3881    0.0389 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4241    0.8310   -0.0848 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8053    0.9454   -0.0305 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5519   -0.1534    0.1467 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9546   -1.3697    0.2718 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6227   -1.4584    0.2168 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1421    1.4984   -0.2974 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5415    0.3434   -0.2201 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0760   -1.5463    0.0934 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1621    1.7122   -0.2263 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2556    1.9113   -0.1311 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6071   -2.2291    0.4138 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