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
    2.5669    0.2670   -0.0944 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5910   -0.5555   -0.3710 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2013   -0.1512   -0.1093 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8643   -0.9835   -0.3839 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1759   -0.5865   -0.1305 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4194    0.6151    0.3859 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3770    1.4245    0.6525 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0990    1.0513    0.4113 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5859   -0.0229   -0.2836 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4170    1.2631    0.3302 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8381   -1.5162   -0.7873 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6484   -1.9457   -0.7987 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9924   -1.2540   -0.3533 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6238    2.3945    1.0727 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