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
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
2.4636 -0.4007 -0.0545 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5625 0.3813 -0.5640 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1539 0.2745 -0.2530 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3164 -0.6746 0.6121 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6925 -0.7043 0.8538 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5205 0.1705 0.2552 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.0533 1.1024 -0.5951 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7423 1.1388 -0.8320 N 0 0 0 0 0 0 0 0 0 0 0 0
2.1921 -1.1702 0.6295 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5054 -0.2399 -0.3527 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8697 1.1549 -1.2570 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3416 -1.3739 1.0913 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0234 -1.4701 1.5441 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7403 1.8114 -1.0776 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