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
   -2.3729   -0.6262   -0.2431 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6923    0.3328    0.3121 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2418    0.2991    0.3473 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5012   -0.7271   -0.1923 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8757   -0.6784   -0.1145 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4604    0.3665    0.4848 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7459    1.3835    1.0204 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4270    1.3146    0.9334 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8790   -1.4612   -0.6862 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4608   -0.5818   -0.2589 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1747    1.1970    0.7718 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0726   -1.5777   -0.6783 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4927   -1.4721   -0.5303 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2461    2.2310    1.5074 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