2,6,8-Trimethylpyrido[3,4-d]pyrimidin-4(1H)-one
PubChem CID: 135679867
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| Compound Synonyms | 22378-52-5, 2,6,8-Trimethylpyrido[3,4-d]pyrimidin-4(1H)-one, Pyrido[3,4-d]pyrimidin-4(3H)-one, 2,6,8-trimethyl-, DTXSID10345494, FIDWRZHJVOJWHR-UHFFFAOYSA-N, 2,6,8-Trimethylpyrido[3,4-d]pyrimidin-4-ol # |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 54.4 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC1CCCC2CCCCC12 |
| Np Classifier Class | Pyrazine and Piperazine alkaloids |
| Deep Smiles | CcncC)ccc6)c=O)[nH]cn6)C |
| Heavy Atom Count | 14.0 |
| Classyfire Class | Pyridopyrimidines |
| Scaffold Graph Node Level | OC1NCNC2CNCCC12 |
| Classyfire Subclass | Pyrido[3,4-d]pyrimidines |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 287.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2,6,8-trimethyl-3H-pyrido[3,4-d]pyrimidin-4-one |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 0.4 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C10H11N3O |
| Scaffold Graph Node Bond Level | O=c1[nH]cnc2cnccc12 |
| Inchi Key | FIDWRZHJVOJWHR-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | 2,6,8-trimethylpyrido[3,4-d]pyrimidin-4(3h)-one |
| Esol Class | Very soluble |
| Functional Groups | c=O, c[nH]c, cnc |
| Compound Name | 2,6,8-Trimethylpyrido[3,4-d]pyrimidin-4(1H)-one |
| Exact Mass | 189.09 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 189.09 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 189.21 |
| 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/C10H11N3O/c1-5-4-8-9(6(2)11-5)12-7(3)13-10(8)14/h4H,1-3H3,(H,12,13,14) |
| Smiles | CC1=CC2=C(C(=N1)C)N=C(NC2=O)C |
| Np Classifier Biosynthetic Pathway | Alkaloids, Amino acids and Peptides |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Tetramate alkaloids, Peptide alkaloids |
- 1. Outgoing r'ship
FOUND_INto/from Jatropha Curcas (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2014.886965