Common name
N-ethyl-4,5-dimethylpyrimidin-2-amine
IUPAC name
N-ethyl-4,5-dimethylpyrimidin-2-amine
SMILES
C(C)Nc1ncc(c([n]1)C)C
Common name
N-ethyl-4,5-dimethylpyrimidin-2-amine
IUPAC name
N-ethyl-4,5-dimethylpyrimidin-2-amine
SMILES
C(C)Nc1ncc(c([n]1)C)C
INCHI
1S/C8H13N3/c1-4-9-8-10-5-6(2)7(3)11-8/h5H,4H2,1-3H3,(H,9,10,11)
FORMULA
C8H13N3
Common name
N-ethyl-4,5-dimethylpyrimidin-2-amine
IUPAC name
N-ethyl-4,5-dimethylpyrimidin-2-amine
Molecular weight
151.209
clogP
1.737
clogS
-3.101
Frequency
0.0003
HBond Acceptor
2
HBond Donor
1
Total PolarSurface Area
37.81
Number of Rings
1
Rotatable Bond
2
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD03196 | bupirimate |
|
Fungicide | Fungicide |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4rj7_ligand_2_7.mol2 | 4rj7 | 0.882353 | -5.96 | N(CC)c1nc(ccn1)C | 10 |
| 4rj7_ligand_3_15.mol2 | 4rj7 | 0.775862 | -5.97 | N([C@H](CO)C)c1nc(ccn1)C | 12 |
| 2qfo_ligand_frag_0.mol2 | 2qfo | 0.705882 | -6.18 | c1(ccnc(n1)N)C | 8 |
| 2wi1_ligand_frag_0.mol2 | 2wi1 | 0.705882 | -6.18 | Nc1nccc(n1)C | 8 |
102 ,
11
