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
   -2.4818   -0.2327   -0.0329 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5686    0.6501   -0.3118 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1639    0.3463   -0.1342 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3221   -0.8485    0.3250 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7002   -1.0530    0.4651 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5125   -0.0535    0.1389 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0602    1.1293   -0.3143 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7435    1.3182   -0.4459 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2154   -1.1988    0.3325 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5379    0.0300   -0.1789 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8760    1.6409   -0.6881 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3359   -1.6444    0.5842 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0698   -2.0210    0.8360 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7713    1.9371   -0.5754 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