Common name
N,5-diethyl-4-methylpyrimidin-2-amine
IUPAC name
N,5-diethyl-4-methylpyrimidin-2-amine
SMILES
C(C)Nc1ncc(c([n]1)C)CC
Common name
N,5-diethyl-4-methylpyrimidin-2-amine
IUPAC name
N,5-diethyl-4-methylpyrimidin-2-amine
SMILES
C(C)Nc1ncc(c([n]1)C)CC
INCHI
1S/C9H15N3/c1-4-8-6-11-9(10-5-2)12-7(8)3/h6H,4-5H2,1-3H3,(H,10,11,12)
FORMULA
C9H15N3
Common name
N,5-diethyl-4-methylpyrimidin-2-amine
IUPAC name
N,5-diethyl-4-methylpyrimidin-2-amine
Molecular weight
165.236
clogP
2.079
clogS
-3.515
Frequency
0.0003
HBond Acceptor
2
HBond Donor
1
Total PolarSurface Area
37.81
Number of Rings
1
Rotatable Bond
3
| 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 | 0.789474 | -5.96 | N(CC)c1nc(ccn1)C | 10 |
| 4rj7_ligand_3_15.mol2 | 4rj7 | 0.730159 | -5.97 | N([C@H](CO)C)c1nc(ccn1)C | 12 |
| 4myq_ligand_1_1.mol2 | 4myq | 0.684211 | -6.77 | c1nc(c(cn1)CC)C | 9 |
| 2qfo_ligand_frag_0.mol2 | 2qfo | 0.631579 | -6.18 | c1(ccnc(n1)N)C | 8 |
| 2wi1_ligand_frag_0.mol2 | 2wi1 | 0.631579 | -6.18 | Nc1nccc(n1)C | 8 |
120 ,
13
