5-Methylhydantoin
PubChem CID: 69216
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| Compound Synonyms | 5-Methylhydantoin, 616-03-5, 5-methylimidazolidine-2,4-dione, Hydantoin, 5-methyl-, 2,4-Imidazolidinedione, 5-methyl-, 5-Methyl-2,4-imidazolidinedione, D-5-Methylhydantoin, NSC 75829, AI3-61188, 67337-69-3, (R)-(+)-5-Methylhydantoin, 5-methy hydantoin, 5-methyl-hydantoin, MFCD00022398, Spectrum_001906, 2, 5-methyl-, Spectrum3_000916, Spectrum4_001200, Spectrum5_001760, 5-Methylhydantoin, 97%, 5(R)-Methylimidazolidine-2,4-dione, D-5-Methylhydantoin, DL-5-METHYLHYDANTOIN, SCHEMBL21767, KBioGR_001899, KBioSS_002442, Hydantoin, 5-methyl-(8CI), CHEMBL158019, CHEBI:93888, KBio2_002436, KBio2_005004, KBio2_007572, KBio3_001892, VMAQYKGITHDWKL-UHFFFAOYSA-, DTXSID90880934, ALBB-022598, NSC75829, NSC-75829, imidazolidine-2,4-dione, 5-methyl-, AKOS001074138, AKOS016050393, CCG-214321, PD000080, 2,4-Imidazolidinedione, 5-methyl-(9CI), DB-053946, CS-0084851, M1699, NS00096232, EN300-17026, A12693, BRD-A68318914-001-01-5, Q27165643, Z56862247, InChI=1/C4H6N2O2/c1-2-3(7)6-4(8)5-2/h2H,1H3,(H2,5,6,7,8), 625-324-5 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 58.2 |
| Hydrogen Bond Donor Count | 2.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC1CCC(C)C1 |
| Deep Smiles | O=CNCC=O)N5))C |
| Heavy Atom Count | 8.0 |
| Classyfire Class | Azoles |
| Scaffold Graph Node Level | OC1CNC(O)N1 |
| Classyfire Subclass | Imidazoles |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 143.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-methylimidazolidine-2,4-dione |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | -0.6 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C4H6N2O2 |
| Scaffold Graph Node Bond Level | O=C1CNC(=O)N1 |
| Inchi Key | VMAQYKGITHDWKL-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | 5-methyl-2,4-imidazolidinedione |
| Esol Class | Highly soluble |
| Functional Groups | O=C1CNC(=O)N1 |
| Compound Name | 5-Methylhydantoin |
| Exact Mass | 114.043 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 114.043 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 114.1 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C4H6N2O2/c1-2-3(7)6-4(8)5-2/h2H,1H3,(H2,5,6,7,8) |
| Smiles | CC1C(=O)NC(=O)N1 |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
- 1. Outgoing r'ship
FOUND_INto/from Pueraria Montana (Plant) Rel Props:Reference:https://doi.org/10.2174/0929867033456729