Common name
5-butyl-4-methylpyrimidin-2-amine
IUPAC name
5-butyl-4-methylpyrimidin-2-amine
SMILES
C(CC)Cc1cnc([n]c1C)N
Common name
5-butyl-4-methylpyrimidin-2-amine
IUPAC name
5-butyl-4-methylpyrimidin-2-amine
SMILES
C(CC)Cc1cnc([n]c1C)N
INCHI
1S/C9H15N3/c1-3-4-5-8-6-11-9(10)12-7(8)2/h6H,3-5H2,1-2H3,(H2,10,11,12)
FORMULA
C9H15N3
Common name
5-butyl-4-methylpyrimidin-2-amine
IUPAC name
5-butyl-4-methylpyrimidin-2-amine
Molecular weight
165.236
clogP
2.011
clogS
-3.122
Frequency
0.0003
HBond Acceptor
2
HBond Donor
2
Total PolarSurface Area
51.8
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 |
|---|---|---|---|---|---|
| 4myq_ligand_1_1.mol2 | 4myq | 0.696429 | -6.77 | c1nc(c(cn1)CC)C | 9 |
| 4wnp_ligand_1_4.mol2 | 4wnp | 0.696203 | -6.02 | Nc1ncc2c(CCCC2)n1 | 11 |
| 4im0_ligand_2_45.mol2 | 4im0 | 0.666667 | -6.91 | Nc1ncc(cn1)C1CC1 | 10 |
| 2qfo_ligand_frag_0.mol2 | 2qfo | 0.642857 | -6.18 | c1(ccnc(n1)N)C | 8 |
| 2wi1_ligand_frag_0.mol2 | 2wi1 | 0.642857 | -6.18 | Nc1nccc(n1)C | 8 |
| 2qg2_ligand_frag_4.mol2 | 2qg2 | 0.642857 | -6.14 | c1cc(nc(n1)N)C | 8 |
| 3b25_ligand_frag_2.mol2 | 3b25 | 0.642857 | -6.14 | c1nc(nc(c1)C)N | 8 |
| 3b26_ligand_frag_1.mol2 | 3b26 | 0.642857 | -6.14 | c1nc(nc(c1)C)N | 8 |
101 ,
11
