N,4,6-TRIMETHYL-1,3,5-TRIAZIN-2-AMINE

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Molecule Category Free-form
Source Gaulton A, Kale N, van Westen GJ, Bellis LJ, Bento AP, Davies M, Hersey A, Papadatos G, Forster M, Wege P, Overington JP. A large-scale crop protection bioassay data set. Sci Data. 2015 Jul 7;2:150032. Read more ...

Structure

InChI Key KLYWBZSVXSWURG-UHFFFAOYSA-N
Smiles CNc1nc(C)nc(C)n1
InChI
InChI=1S/C6H10N4/c1-4-8-5(2)10-6(7-3)9-4/h1-3H3,(H,7,8,9,10)

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H10N4
Molecular Weight 138.17
AlogP 0.19
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 50.7
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 10.0

Pharmacology

EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Nitrosomonas europaea
- 870963.59 - - -

Cross References

Resources Reference
ChEMBL CHEMBL2271910
PubChem 20658992
SureChEMBL SCHEMBL10203906
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