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
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