6-imino-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purin-2-one
AlkaPlorer ID: AK154939
Synonym: None
IUPAC Name: 6-imino-1,3-dimethyl-7H-purin-2-one
Structure
SMILES: CN1C(=N)C2=C(NC=N2)N(C)C1=O
InChI: InChI=1S/C7H9N5O/c1-11-5(8)4-6(10-3-9-4)12(2)7(11)13/h3,8H,1-2H3,(H,9,10)
InChIKey: SZMYTAKQGWDBJI-UHFFFAOYSA-N
Reference
PubChem CID: 135460090
CAS: 671792-62-4
LOTUS: LTS0166750
NPASS: NPC476099
COCONUT: CNP0131514
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Amphimedon viridis | Amphimedon | Niphatidae | Haplosclerida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 179.18299999999996
TPSA？: 79.46000000000001
MolLogP？: -0.92043
Number of H-Donors: 2
Number of H-Acceptors: 5
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Bacillus subtilis | Bacillus subtilis | Activity | nan | None | 10.1021/np980052q |
| Candida albicans | Candida albicans | Activity | nan | None | 10.1021/np980052q |
| Escherichia coli | Escherichia coli | Activity | nan | None | 10.1021/np980052q |
| Mus musculus | P388 | Activity | nan | None | 10.1021/np980052q |
| Pseudomonas aeruginosa | Pseudomonas aeruginosa | Activity | nan | None | 10.1021/np980052q |
| None | NON-PROTEIN TARGET | Activity | 34.0 | % | 10.1021/np970021f |
| None | NON-PROTEIN TARGET | IC50 | 2.1 | ug.mL-1 | 10.1021/np970015j |