IUPAC name
4-methyl-N-phenyl-6-(1-propynyl)-2-pyrimidinamine
SMILES
CC#Cc1cc(C)nc(Nc2ccccc2)n1
Compound class
Fungicide
Therapeutic area
Fungicide
Common name
mepanipyrim
IUPAC name
4-methyl-N-phenyl-6-(1-propynyl)-2-pyrimidinamine
SMILES
CC#Cc1cc(C)nc(Nc2ccccc2)n1
INCHI
InChI=1S/C14H13N3/c1-3-7-13-10-11(2)15-14(17-13)16-12-8-5-4-6-9-12/h4-6,8-10H,1-2H3,(H,15,16,17)
FORMULA
C14H13N3
Common name
mepanipyrim
IUPAC name
4-methyl-N-phenyl-6-(1-propynyl)-2-pyrimidinamine
Molecular weight
223.273
clogP
2.994
clogS
-4.178
HBond Acceptor
2
HBond Donor
1
Total Polar Surface Area
37.81
Number of Rings
2
Rotatable Bond
3
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00005 | benzene |
|
c1ccccc1 | 0.2824 |
| FDBF00046 | aniline |
|
Nc1ccccc1 | 0.0247 |
| FDBF01877 | prop-1-yne |
|
C#CC | 0.0082 |
| FDBF03060 | 4-methylpyrimidine |
|
n1cnccc1C | 0.0038 |
| FDBF05336 | 4-methylpyrimidin-2-amine |
|
Nc1nccc(n1)C | 0.0017 |
| FDBF06919 | 4-methyl-N-phenylpyrimidin-2-amine |
|
Cc1nc(ncc1)Nc1ccccc1 | 0.0007 |
| FDBF07315 | 4-methyl-6-prop-1-ynylpyrimidine |
|
c1(ncnc(c1)C)C#CC | 0.0003 |
| FDBF07316 | 4-methyl-6-prop-1-ynylpyrimidin-2-amine |
|
c1(nc(nc(c1)C)N)C#CC | 0.0003 |
8 ,
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