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
    2.4591   -0.0410   -0.2901 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4814   -0.8731   -0.1507 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0979   -0.4293    0.0006 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2436    0.9038    0.0032 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5611    1.2886    0.1483 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5174    0.3633    0.2878 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1514   -0.9287    0.2812 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8935   -1.3350    0.1437 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4966   -0.3836   -0.4032 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3530    1.0268   -0.3078 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6904   -1.9374   -0.1452 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5251    1.6851   -0.1101 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8048    2.3591    0.1467 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9316   -1.6985    0.3955 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