2,4,6-Tri-tert-butylpyrimidine
PubChem CID: 3440137
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| Compound Synonyms | 2,4,6-Tri-tert-butylpyrimidine, 67490-21-5, 2,4,6-tritert-butylpyrimidine, 2,4,6-Tri-tertbutylpyrimidine, 2,4,6-tri-tert-butyl pyrimidine, MFCD03094045, 2,4,6-Tri-tert-butylpyrimidine, 2,4,6-Tri-tert-butylpyrimidine, Pyrimidine, 2,4,6-tris(1,1-dimethylethyl)-, TTBP, SCHEMBL173244, 2,4,6-tri-t-butylpyrimidine, DTXSID20392494, AKOS015892583, CS-W012668, SB60640, 2,4,6-Tri-tert-butylpyrimidine, 97%, DS-17473, SY107276, T3693, 2 4 6-TRI-TERT-BUTYL PYRIMIDINE 97, O10585 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 25.8 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCCC1 |
| Deep Smiles | CCcccncn6)CC)C)C))))CC)C)C)))))C)C |
| Heavy Atom Count | 18.0 |
| Classyfire Class | Diazines |
| Scaffold Graph Node Level | C1CNCNC1 |
| Classyfire Subclass | Pyrimidines and pyrimidine derivatives |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 253.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2,4,6-tritert-butylpyrimidine |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 5.3 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C16H28N2 |
| Scaffold Graph Node Bond Level | c1cncnc1 |
| Inchi Key | VYWSYEDVFVGRGG-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 3.0 |
| Synonyms | 2,4,6-tri-(t-butyl)pyrimidine |
| Esol Class | Moderately soluble |
| Functional Groups | cnc |
| Compound Name | 2,4,6-Tri-tert-butylpyrimidine |
| Exact Mass | 248.225 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 248.225 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 248.41 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C16H28N2/c1-14(2,3)11-10-12(15(4,5)6)18-13(17-11)16(7,8)9/h10H,1-9H3 |
| Smiles | CC(C)(C)C1=CC(=NC(=N1)C(C)(C)C)C(C)(C)C |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
- 1. Outgoing r'ship
FOUND_INto/from Achillea Millefolium (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2017.1280419