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
    2.5017   -0.7341    0.2468 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6609    0.2490    0.3983 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2158    0.0995    0.1360 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6561    1.1531    0.3029 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0084    1.0100    0.0564 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4757   -0.1824   -0.3536 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6213   -1.2173   -0.5177 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3037   -1.0703   -0.2755 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1954   -1.7067   -0.0762 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5487   -0.5859    0.4481 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0034    1.2267    0.7282 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2673    2.0975    0.6304 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7272    1.8092    0.1743 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0663   -2.1480   -0.8500 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