Common name
4-methyl-6-prop-1-ynylpyrimidin-2-amine
IUPAC name
4-methyl-6-prop-1-ynylpyrimidin-2-amine
SMILES
c1(nc(nc(c1)C)N)C#CC
Common name
4-methyl-6-prop-1-ynylpyrimidin-2-amine
IUPAC name
4-methyl-6-prop-1-ynylpyrimidin-2-amine
SMILES
c1(nc(nc(c1)C)N)C#CC
INCHI
InChI=1S/C8H9N3/c1-3-4-7-5-6(2)10-8(9)11-7/h5H,1-2H3,(H2,9,10,11)
FORMULA
C8H9N3
Common name
4-methyl-6-prop-1-ynylpyrimidin-2-amine
IUPAC name
4-methyl-6-prop-1-ynylpyrimidin-2-amine
Molecular weight
147.177
clogP
1.343
clogS
-1.978
Frequency
0.0003
HBond Acceptor
2
HBond Donor
2
Total PolarSurface Area
51.8
Number of Rings
1
Rotatable Bond
1
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD03205 | mepanipyrim |
|
Fungicide | Fungicide |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2qg2_ligand_1_3.mol2 | 2qg2 | 0.847458 | -6.30 | c1(cc(nc(n1)N)C)C#C | 10 |
| 2qg2_ligand_2_5.mol2 | 2qg2 | 0.819444 | -7.84 | c1(cc(nc(n1)N)C)C#Cc1ccccc1 | 16 |
| 2qg0_ligand_1_0.mol2 | 2qg0 | 0.644068 | -6.46 | c1(nc(nc(c1)C)N)C | 9 |
| 2qfo_ligand_frag_0.mol2 | 2qfo | 0.610169 | -6.18 | c1(ccnc(n1)N)C | 8 |
| 2wi1_ligand_frag_0.mol2 | 2wi1 | 0.610169 | -6.18 | Nc1nccc(n1)C | 8 |
100 ,
11
