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
   -2.5401    0.2679   -0.3464 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5694   -0.5938   -0.2215 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1910   -0.1847   -0.0280 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8518   -1.0590    0.1066 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1484   -0.6481    0.2888 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3588    0.6955    0.3309 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3581    1.5568    0.2019 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0902    1.1489    0.0237 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3247    1.3148   -0.3064 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5447   -0.0645   -0.4877 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7815   -1.6484   -0.2610 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6530   -2.1192    0.0689 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9892   -1.3123    0.3977 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5019    2.6460    0.2324 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