2-({2-[(adamantan-1-yl)amino]-2-oxoethyl}sulfanyl)-4-aminopyrimidine-5-carboxylic acid
Chemical Structure Depiction of
2-({2-[(adamantan-1-yl)amino]-2-oxoethyl}sulfanyl)-4-aminopyrimidine-5-carboxylic acid
2-({2-[(adamantan-1-yl)amino]-2-oxoethyl}sulfanyl)-4-aminopyrimidine-5-carboxylic acid
Compound characteristics
| Compound ID: | 8289-0255F |
| Compound Name: | 2-({2-[(adamantan-1-yl)amino]-2-oxoethyl}sulfanyl)-4-aminopyrimidine-5-carboxylic acid |
| Molecular Weight: | 362.45 |
| Molecular Formula: | C17 H22 N4 O3 S |
| Smiles: | [H][C@]12CC3(C[C@]([H])(C1)C[C@@]([H])(C3)C2)NC(CSc1ncc(C(O)=O)c(N)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3494 |
| logD: | -0.359 |
| logSw: | -2.7574 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 91.054 |
| InChI Key: | ZPJBPVFZCWBWLS-ICCVPIAFSA-N |