6-methyl-1H-pteridin-2-one
PubChem CID: 595633
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| Compound Synonyms | 6-methyl-1H-pteridin-2-one, 6-Methyl-2(1H)-pteridinone, 16041-23-9, 2(1H)-Pteridinone, 6-methyl-, 6-Methyl-2-pteridinol #, pteridine, 2-hydroxy-6-methyl-, NIYGNRXIRWYLOP-UHFFFAOYSA-N |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 67.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC1CCC2CCCCC2C1 |
| Np Classifier Class | pteridine alkaloids |
| Deep Smiles | Cccnccn6)cnc=O)[nH]6 |
| Heavy Atom Count | 12.0 |
| Classyfire Class | Pteridines and derivatives |
| Scaffold Graph Node Level | OC1NCC2NCCNC2N1 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 227.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 6-methyl-1H-pteridin-2-one |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | -0.4 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C7H6N4O |
| Scaffold Graph Node Bond Level | O=c1ncc2nccnc2[nH]1 |
| Inchi Key | NIYGNRXIRWYLOP-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | 6-methyl-2(1h)-pteridinone |
| Esol Class | Very soluble |
| Functional Groups | c=O, c[nH]c, cnc |
| Compound Name | 6-methyl-1H-pteridin-2-one |
| Exact Mass | 162.054 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 162.054 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 162.15 |
| 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/C7H6N4O/c1-4-2-8-6-5(10-4)3-9-7(12)11-6/h2-3H,1H3,(H,8,9,11,12) |
| Smiles | CC1=CN=C2C(=N1)C=NC(=O)N2 |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Pseudoalkaloids |
- 1. Outgoing r'ship
FOUND_INto/from Curcuma Caesia (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2014.884781