Dicyclanil
| PubChem CID | 3081364 |
| Molecular Formula | C8H10N6 |
| Structure |
|
| Synonyms |
Dicyclanil
112636-83-6 4,6-diamino-2-(cyclopropylamino)pyrimidine-5-carbonitrile Dicyclanil [ISO] 5-Pyrimidinecarbonitrile, 4,6-diamino-2-(cyclopropylamino)- 4,6-Diamino-2-(cyclopropylamino)-5-pyrimidinecarbonitrile DBC8O809S5 4,6-diamino-2-cyclopropylaminopyrimidine-5-carbonitrile Dicyclanil 10 microg/mL in Acetonitrile 4,6-Diamino-2-(cyclopropylamino)-pyrimidine-5-carbonitrile UNII-DBC8O809S5 2-(Cyclopropylamino)-4,6-diamino-5-cyanopyrimidine CLIK SCHEMBL120066 DTXSID5041013 PKTIFYGCWCQRSX-UHFFFAOYSA-N BCP08674 MFCD03095705 s4873 AKOS006283479 CCG-266503 DS-18401 DB-060221 HY-121263 CS-0081329 NS00003623 Dicyclanil, PESTANAL(R), analytical standard A802619 J-002806 J-514108 Q27276312 |
Computed Descriptors
| IUPAC Name | 4,6-diamino-2-(cyclopropylamino)pyrimidine-5-carbonitrile |
| SMILES | C1CC1NC2=NC(=C(C(=N2)N)C#N)N |
| Canonical SMILES | C1CC1NC2=NC(=C(C(=N2)N)C#N)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) |
| InChIKey | PKTIFYGCWCQRSX-UHFFFAOYSA-N |
Computed Properties
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| Molecular Weight | 190.21 g/mol |
| XLogP3 | 0.6 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 2 |
| Exact Mass | 190.097 |
| Monoisotopic Mass | 190.097 |
| Topological Polar Surface Area | 114 |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 242 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
Annotation
2 pairs of Verified P450 and Dicyclanil
| Insect | Gene Symbol | Validation | Reference |
|---|---|---|---|
| Drosophila melanogaster | CYP12D1 | D | |
| Drosophila melanogaster | CYP6G1 | D |