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
2.5577 0.4702 0.1034 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6205 -0.3954 0.4089 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2045 -0.1171 0.0849 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8021 -1.0026 0.3911 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1236 -0.7728 0.1036 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4182 0.3941 -0.5131 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.4282 1.2687 -0.8161 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1379 1.0389 -0.5327 N 0 0 0 0 0 0 0 0 0 0 0 0
2.2853 1.3834 -0.3847 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5981 0.2932 0.3279 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8015 -1.3387 0.8998 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5206 -1.9228 0.8838 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9103 -1.4892 0.3549 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7266 2.1903 -1.3118 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