Dicyclanil
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Basic Info
| Common Name | Dicyclanil(F05709) |
| 2D Structure | |
| FRCD ID | F05709 |
| CAS Number | 112636-83-6 |
| PubChem CID | 3081364 |
| Formula | C8H10N6 |
| IUPAC Name | 4,6-diamino-2-(cyclopropylamino)pyrimidine-5-carbonitrile |
| InChI Key | PKTIFYGCWCQRSX-UHFFFAOYSA-N |
| InChI | InChI=1S/C8H10N6/c9-3-5-6(10)13-8(14-7(5)11)12-4-1-2-4/h4H,1-2H2,(H5,10,11,12,13,14) |
| Canonical SMILES | C1CC1NC2=NC(=C(C(=N2)N)C#N)N |
| Isomeric SMILES | C1CC1NC2=NC(=C(C(=N2)N)C#N)N |
| Synonyms |
4,6-diamino-2-(cyclopropylamino)pyrimidine-5-carbonitrile
Dicyclanil
112636-83-6
Dicyclanil [ISO]
4,6-Diamino-2-(cyclopropylamino)-5-pyrimidinecarbonitrile
UNII-DBC8O809S5
5-Pyrimidinecarbonitrile, 4,6-diamino-2-(cyclopropylamino)-
DBC8O809S5
2-(Cyclopropylamino)-4,6-diamino-5-cyanopyrimidine
AC1MIWS3
|
| Classifies |
Predicted: Pesticide
|
| Update Date | Nov 13, 2018 17:07 |
Chemical Taxonomy
| Kingdom | Organic compounds |
| Superclass | Organoheterocyclic compounds |
| Class | Diazines |
| Subclass | Pyrimidines and pyrimidine derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Aminopyrimidines and derivatives |
| Alternative Parents | |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Secondary aliphatic/aromatic amine - Aminopyrimidine - Imidolactam - Heteroaromatic compound - Azacycle - Secondary amine - Nitrile - Carbonitrile - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Amine - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as aminopyrimidines and derivatives. These are organic compounds containing an amino group attached to a pyrimidine ring. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions. |
Properties
| Property Name | Property Value |
|---|---|
| Molecular Weight | 190.21 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 2 |
| Complexity | 242 |
| Monoisotopic Mass | 190.097 |
| Exact Mass | 190.097 |
| XLogP | 0.6 |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Isotope Atom Count | 0 |
| Covalently-Bonded Unit Count | 1 |
MRLs
| Food | Product Code | Country | MRLs | Application Date | Notes |
|---|---|---|---|---|---|
| Other Terrestrial Mammals,Edible Offal | Japan | 0.1ppm | |||
| Other Terrestrial Mammals,Kidney | Japan | 0.125ppm | |||
| Other Terrestrial Mammals,Liver | Japan | 0.125ppm | |||
| Other Terrestrial Mammals,Fat | Japan | 0.2ppm | |||
| Other Terrestrial Mammals,Muscle | Japan | 0.15ppm |