Common name
4-methylpyrimidin-2-amine
IUPAC name
4-methylpyrimidin-2-amine
SMILES
Nc1nccc(n1)C
Common name
4-methylpyrimidin-2-amine
IUPAC name
4-methylpyrimidin-2-amine
SMILES
Nc1nccc(n1)C
INCHI
InChI=1S/C5H7N3/c1-4-2-3-7-5(6)8-4/h2-3H,1H3,(H2,6,7,8)
FORMULA
C5H7N3
Common name
4-methylpyrimidin-2-amine
IUPAC name
4-methylpyrimidin-2-amine
Molecular weight
109.129
clogP
0.685
clogS
-1.313
Frequency
0.0017
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 |
|---|---|---|---|---|
| FDBD02152 | pirimiphos-ethyl |
|
Insecticide | Insecticide |
| FDBD02153 | pirimiphos-methyl |
|
Insecticide | Insecticide |
| FDBD02209 | pirimetaphos |
|
Insecticide | Insecticide |
| FDBD03204 | cyprodinil |
|
Fungicide | Fungicide |
| FDBD03205 | mepanipyrim |
|
Fungicide | Fungicide |
5 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2qfo_ligand_frag_0.mol2 | 2qfo | 1 | -6.18 | c1(ccnc(n1)N)C | 8 |
| 2wi1_ligand_frag_0.mol2 | 2wi1 | 1 | -6.18 | Nc1nccc(n1)C | 8 |
| 2qg2_ligand_frag_4.mol2 | 2qg2 | 1 | -6.14 | c1cc(nc(n1)N)C | 8 |
| 3b25_ligand_frag_2.mol2 | 3b25 | 1 | -6.14 | c1nc(nc(c1)C)N | 8 |
| 3b26_ligand_frag_1.mol2 | 3b26 | 1 | -6.14 | c1nc(nc(c1)C)N | 8 |
| 2qg0_ligand_frag_0.mol2 | 2qg0 | 1 | -6.11 | c1(nc(ncc1)N)C | 8 |
| 4ph4_ligand_1_1.mol2 | 4ph4 | 1 | -5.90 | c1cc(nc(n1)N)C | 8 |
232 ,
24
