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
    1.8295   -1.5632   -0.4791 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4735   -0.3611   -0.8074 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2561    0.2258   -0.2758 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5289   -0.4937    0.5824 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6895    0.1209    1.0634 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0131    1.3730    0.6901 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2343    2.0791   -0.1578 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1270    1.4800   -0.6106 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3214   -2.2418    0.1763 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7613   -1.9651   -0.9082 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1097    0.2076   -1.4962 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3294   -1.4974    0.9214 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3084   -0.4497    1.7417 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5208    3.0854   -0.4403 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