Pyrimidine
AlkaPlorer ID: AK007809
Synonym: None
IUPAC Name: pyrimidine
Structure
SMILES: C1=CN=CN=C1
InChI: InChI=1S/C4H4N2/c1-2-5-4-6-3-1/h1-4H
InChIKey: CZPWVGJYEJSRLH-UHFFFAOYSA-N
Reference
Mixtures of similarly acting compounds in Daphnia magna: From gene to metabolite and beyond
PubChem CID: 9260
CAS: 24903-66-0
LOTUS: LTS0089124
SuperNatural Ⅲ: SN0059910
COCONUT: CNP0415803
Source
Properties Information
Molecule Weight: 80.08999999999999
TPSA？: 25.78
MolLogP？: 0.4765999999999999
Number of H-Donors: 0
Number of H-Acceptors: 2
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Electrophorus electricus | Acetylcholinesterase | Inhibition | nan | % | 10.1021/jm00211a035 |
| Homo sapiens | Thromboxane-A synthase | Inhibition | 12.0 | % | 10.1021/jm00142a006 |
| None | No relevant target | LogP | -0.44 | None | 10.1016/j.bmcl.2017.09.041 |
| None | No relevant target | pKa | 1.3 | None | 10.1016/j.bmcl.2017.09.041 |
| None | No relevant target | pKa | 1.3 | None | 10.1021/jm300343m |
| None | No relevant target | pKa | 1.31 | None | 10.1021/jm00211a035 |