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
    2.3119   -0.8551    0.1346 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6818    0.1822   -0.3270 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2499    0.3143   -0.2004 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4799   -0.6626    0.4164 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8504   -0.5107    0.5241 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4416    0.5839    0.0263 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7422    1.5490   -0.5801 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4145    1.4048   -0.6860 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4035   -0.9098    0.0138 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8767   -1.6904    0.6357 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2306    0.9859   -0.8270 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0679   -1.5764    0.8432 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4896   -1.2425    0.9988 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2682    2.4274   -0.9725 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