Common name
4-cyclopropyl-6-methylpyrimidine
IUPAC name
4-cyclopropyl-6-methylpyrimidine
SMILES
Cc1ncnc(c1)C1CC1
Common name
4-cyclopropyl-6-methylpyrimidine
IUPAC name
4-cyclopropyl-6-methylpyrimidine
SMILES
Cc1ncnc(c1)C1CC1
INCHI
InChI=1S/C8H10N2/c1-6-4-8(7-2-3-7)10-5-9-6/h4-5,7H,2-3H2,1H3
FORMULA
C8H10N2
Common name
4-cyclopropyl-6-methylpyrimidine
IUPAC name
4-cyclopropyl-6-methylpyrimidine
Molecular weight
134.178
clogP
2.395
clogS
-2.303
Frequency
0.0003
HBond Acceptor
2
HBond Donor
0
Total PolarSurface Area
25.78
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 |
|---|---|---|---|---|---|
| 4ty1_ligand_1_4.mol2 | 4ty1 | 0.9375 | -5.97 | c1nccc(n1)C1CC1 | 9 |
| 5alu_ligand_1_1.mol2 | 5alu | 0.77193 | -6.55 | C1(CCCC1)c1ccncn1 | 11 |
| 4nah_ligand_1_0.mol2 | 4nah | 0.770833 | -5.99 | c1(ccncn1)CC | 8 |
| 4nau_ligand_1_0.mol2 | 4nau | 0.770833 | -5.93 | C(C)c1ccncn1 | 8 |
| 3ith_ligand_1_2.mol2 | 3ith | 0.770833 | -5.57 | c1cc(ncn1)CC | 8 |
100 ,
11
