7-Benzylaminooxazolo[5,4-d]pyrimidine
PubChem CID: 15693439
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| Compound Synonyms | 7-Benzylaminooxazolo[5,4-d]pyrimidine |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 63.8 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCC(CCC2CCCC3CCCC32)CC1 |
| Deep Smiles | cccccc6))CNcncncc6nco5 |
| Heavy Atom Count | 17.0 |
| Classyfire Class | Benzene and substituted derivatives |
| Scaffold Graph Node Level | C1CCC(CNC2NCNC3OCNC23)CC1 |
| Classyfire Subclass | Benzylamines |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 245.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | N-benzyl-[1,3]oxazolo[5,4-d]pyrimidin-7-amine |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Xlogp | 2.2 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C12H10N4O |
| Scaffold Graph Node Bond Level | c1ccc(CNc2ncnc3ocnc23)cc1 |
| Inchi Key | DSZHCAUNXUQJBI-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 3.0 |
| Synonyms | 7-benzyl amino oxazolo-[5,4-d]-pyrimidine |
| Esol Class | Soluble |
| Functional Groups | cNC, cnc, coc |
| Compound Name | 7-Benzylaminooxazolo[5,4-d]pyrimidine |
| Exact Mass | 226.085 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 226.085 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 226.23 |
| 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/C12H10N4O/c1-2-4-9(5-3-1)6-13-11-10-12(15-7-14-11)17-8-16-10/h1-5,7-8H,6H2,(H,13,14,15) |
| Smiles | C1=CC=C(C=C1)CNC2=C3C(=NC=N2)OC=N3 |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
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