IUPAC name
4-cyclopropyl-6-methyl-N-phenyl-2-pyrimidinamine
SMILES
Cc1cc(C2CC2)nc(n1)Nc1ccccc1
Compound class
Fungicide
Therapeutic area
Fungicide
Common name
cyprodinil
IUPAC name
4-cyclopropyl-6-methyl-N-phenyl-2-pyrimidinamine
SMILES
Cc1cc(C2CC2)nc(n1)Nc1ccccc1
INCHI
InChI=1S/C14H15N3/c1-10-9-13(11-7-8-11)17-14(15-10)16-12-5-3-2-4-6-12/h2-6,9,11H,7-8H2,1H3,(H,15,16,17)
FORMULA
C14H15N3
Common name
cyprodinil
IUPAC name
4-cyclopropyl-6-methyl-N-phenyl-2-pyrimidinamine
Molecular weight
225.289
clogP
3.105
clogS
-4.307
HBond Acceptor
2
HBond Donor
1
Total Polar Surface Area
37.81
Number of Rings
3
Rotatable Bond
3
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00005 | benzene |
|
c1ccccc1 | 0.2824 |
| FDBF00046 | aniline |
|
Nc1ccccc1 | 0.0247 |
| FDBF03060 | 4-methylpyrimidine |
|
n1cnccc1C | 0.0038 |
| FDBF05336 | 4-methylpyrimidin-2-amine |
|
Nc1nccc(n1)C | 0.0017 |
| FDBF06915 | 4-cyclopropyl-6-methylpyrimidine |
|
Cc1ncnc(c1)C1CC1 | 0.0003 |
| FDBF06918 | 4-cyclopropyl-6-methylpyrimidin-2-amine |
|
Cc1nc(nc(c1)C1CC1)N | 0.0003 |
| FDBF06919 | 4-methyl-N-phenylpyrimidin-2-amine |
|
Cc1nc(ncc1)Nc1ccccc1 | 0.0007 |
7 ,
1
