Common name
4,6-dimethylpyrimidin-2-amine
IUPAC name
4,6-dimethylpyrimidin-2-amine
SMILES
c1(nc(cc(n1)C)C)N
Common name
4,6-dimethylpyrimidin-2-amine
IUPAC name
4,6-dimethylpyrimidin-2-amine
SMILES
c1(nc(cc(n1)C)C)N
INCHI
InChI=1S/C6H9N3/c1-4-3-5(2)9-6(7)8-4/h3H,1-2H3,(H2,7,8,9)
FORMULA
C6H9N3
Common name
4,6-dimethylpyrimidin-2-amine
IUPAC name
4,6-dimethylpyrimidin-2-amine
Molecular weight
123.156
clogP
1.061
clogS
-1.871
Frequency
0.0007
HBond Acceptor
2
HBond Donor
2
Total PolarSurface Area
51.8
Number of Rings
1
Rotatable Bond
0
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD03201 | ferimzone |
|
Fungicide | Fungicide |
| FDBD03206 | pyrimethanil |
|
Fungicide | Fungicide |
2 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2qg0_ligand_1_0.mol2 | 2qg0 | 1 | -6.46 | c1(nc(nc(c1)C)N)C | 9 |
| 2qfo_ligand_frag_0.mol2 | 2qfo | 0.947368 | -6.18 | c1(ccnc(n1)N)C | 8 |
| 2wi1_ligand_frag_0.mol2 | 2wi1 | 0.947368 | -6.18 | Nc1nccc(n1)C | 8 |
| 2qg2_ligand_frag_4.mol2 | 2qg2 | 0.947368 | -6.14 | c1cc(nc(n1)N)C | 8 |
| 3b25_ligand_frag_2.mol2 | 3b25 | 0.947368 | -6.14 | c1nc(nc(c1)C)N | 8 |
234 ,
24
