Common name
4-cyclopropyl-6-methylpyrimidin-2-amine
IUPAC name
4-cyclopropyl-6-methylpyrimidin-2-amine
SMILES
Cc1nc(nc(c1)C1CC1)N
Common name
4-cyclopropyl-6-methylpyrimidin-2-amine
IUPAC name
4-cyclopropyl-6-methylpyrimidin-2-amine
SMILES
Cc1nc(nc(c1)C1CC1)N
INCHI
InChI=1S/C8H11N3/c1-5-4-7(6-2-3-6)11-8(9)10-5/h4,6H,2-3H2,1H3,(H2,9,10,11)
FORMULA
C8H11N3
Common name
4-cyclopropyl-6-methylpyrimidin-2-amine
IUPAC name
4-cyclopropyl-6-methylpyrimidin-2-amine
Molecular weight
149.193
clogP
1.622
clogS
-2.109
Frequency
0.0003
HBond Acceptor
2
HBond Donor
2
Total Polar
Surface Area
51.8
Number of Rings
2
Rotatable Bond
1
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD03204 | cyprodinil |
|
Fungicide | Fungicide |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4ph4_ligand_2_4.mol2 | 4ph4 | 0.873016 | -6.39 | c1cc(nc(n1)N)CC1CC1 | 11 |
| 5alu_ligand_2_4.mol2 | 5alu | 0.80597 | -6.64 | C1(CCCC1)c1ccnc(N)n1 | 12 |
| 2il2_ligand_1_3.mol2 | 2il2 | 0.793103 | -6.42 | n1ccc(nc1N)CC | 9 |
| 4ty1_ligand_1_4.mol2 | 4ty1 | 0.775862 | -5.97 | c1nccc(n1)C1CC1 | 9 |
| 3hvg_ligand.mol2 | 3hvg | 0.72 | -6.96 | O=c1cc([nH]c([nH+]1)N)CCC | 12 |
101 ,
11
