6-amino-2-{[2-(4-tert-butylphenoxy)ethyl]sulfanyl}pyrimidin-4(3H)-one
Chemical Structure Depiction of
6-amino-2-{[2-(4-tert-butylphenoxy)ethyl]sulfanyl}pyrimidin-4(3H)-one
6-amino-2-{[2-(4-tert-butylphenoxy)ethyl]sulfanyl}pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | 4657-0448 |
| Compound Name: | 6-amino-2-{[2-(4-tert-butylphenoxy)ethyl]sulfanyl}pyrimidin-4(3H)-one |
| Molecular Weight: | 319.42 |
| Molecular Formula: | C16 H21 N3 O2 S |
| Smiles: | CC(C)(C)c1ccc(cc1)OCCSC1NC(C=C(N)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9465 |
| logD: | 2.5744 |
| logSw: | -3.3925 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 62.099 |
| InChI Key: | KPBFZTGDNHCXBW-UHFFFAOYSA-N |