Trimethoprim | SBID = 2698 | Compound |
Structure
Molecular Properties
| Interactions: | 1 | ||
| PubChem TPSA/Å2: | 106.0 | ||
| Ertl TPSA/Å2: | 105.51 | ||
| Hydrophilicity (PubChem XLogP): | 0.9 | ||
| Hydrophilicity (Cheng XLogP3): | 0.91 | ||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 2.0 | ||
| Number of H-Bond Acceptors: | 7.0 | ||
| Number of Stereogenic Bonds (E/Z): | 0.0 | ||
| Number of Stereogenic Atoms (R/S): | 0.0 | ||
| 3D Volume/Å3: | 219.9 | ||
| Sum Formula: | C14H18N4O3 | ||
| M / g/mol: | 290.32 | ||
| Complexity: | 307.0 | ||
| Number of Conformers: | 10.0 |
Identifiers
- Tags:
- Name: Trimethoprim
- Preferred Abbreviation: TMP
- IUPAC Name: 5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine
- CAS:
- CID: 5578
- InChiKey: IEDVJHCEMCRBQM-UHFFFAOYSA-N
- InChi: InChI=1S/C14H18N4O3/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15/h5-7H,4H2,1-3H3,(H4,15,16,17,18)
- CanoSmiles: COC1=CC(=CC(=C1OC)OC)CC2=CN=C(N=C2N)N
- IsoSmiles: COC1=CC(=CC(=C1OC)OC)CC2=CN=C(N=C2N)N
