Pyrimidine-2,4-dione, hexahydro-3,6-dimethyl-1-(4-morpholinobutyl)-
PubChem CID: 567606
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| Compound Synonyms | ChemDiv2_000387, TZCIMTVWDHJLKQ-UHFFFAOYSA-N, HMS1370B13, CCG-17689, AKOS000565587, 3,6-Dimethyl-1-[4-(4-morpholinyl)butyl]-2,4(1H,3H)-pyrimidinedione #, Pyrimidine-2,4-dione, hexahydro-3,6-dimethyl-1-(4-morpholinobutyl)-, 3,6-dimethyl-1-[4-(morpholin-4-yl)butyl]-1,2,3,4-tetrahydropyrimidine-2,4-dione |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 53.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC1CCC(CCCCC2CCCCC2)C(C)C1 |
| Deep Smiles | Cnc=O)ccnc6=O))CCCCNCCOCC6)))))))))))C |
| Heavy Atom Count | 20.0 |
| Classyfire Class | Diazines |
| Scaffold Graph Node Level | OC1CCN(CCCCN2CCOCC2)C(O)N1 |
| Classyfire Subclass | Pyrimidines and pyrimidine derivatives |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 402.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3,6-dimethyl-1-(4-morpholin-4-ylbutyl)pyrimidine-2,4-dione |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 0.1 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C14H23N3O3 |
| Scaffold Graph Node Bond Level | O=c1ccn(CCCCN2CCOCC2)c(=O)[nH]1 |
| Inchi Key | TZCIMTVWDHJLKQ-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 5.0 |
| Synonyms | hexahydro-3,6-dimethyl-1-(4-morpholinobutyl)- pyrimidine-2,4 dione |
| Esol Class | Very soluble |
| Functional Groups | CN(C)C, COC, c=O, cn(c)C |
| Compound Name | Pyrimidine-2,4-dione, hexahydro-3,6-dimethyl-1-(4-morpholinobutyl)- |
| Exact Mass | 281.174 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 281.174 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 281.35 |
| 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/C14H23N3O3/c1-12-11-13(18)15(2)14(19)17(12)6-4-3-5-16-7-9-20-10-8-16/h11H,3-10H2,1-2H3 |
| Smiles | CC1=CC(=O)N(C(=O)N1CCCCN2CCOCC2)C |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
- 1. Outgoing r'ship
FOUND_INto/from Jatropha Curcas (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2014.886965