Pyrimidin-2-one, 4-[N-methylureido]-1-[4-methylaminocarbonyloxymethyl
PubChem CID: 545706
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| Compound Synonyms | FTYMTYHJBHKLPD-UHFFFAOYSA-N, Pyrimidin-2-one, 4-[N-methylureido]-1-[4-methylaminocarbonyloxymethyl, [5-(4-([(Methylamino)carbonyl]amino)-2-oxo-1(2H)-pyrimidinyl)tetrahydro-2-furanyl]methyl methylcarbamate # |
|---|---|
| Topological Polar Surface Area | 121.0 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 547.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | [5-[4-(methylcarbamoylamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl N-methylcarbamate |
| Prediction Hob | 1.0 |
| Xlogp | -0.9 |
| Molecular Formula | C13H19N5O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | FTYMTYHJBHKLPD-UHFFFAOYSA-N |
| Fcsp3 | 0.5384615384615384 |
| Logs | -1.833 |
| Rotatable Bond Count | 5.0 |
| Logd | 0.131 |
| Compound Name | Pyrimidin-2-one, 4-[N-methylureido]-1-[4-methylaminocarbonyloxymethyl |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 325.139 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 325.139 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 325.32 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.841458478260869 |
| Inchi | InChI=1S/C13H19N5O5/c1-14-11(19)16-9-5-6-18(12(20)17-9)10-4-3-8(23-10)7-22-13(21)15-2/h5-6,8,10H,3-4,7H2,1-2H3,(H,15,21)(H2,14,16,17,19,20) |
| Smiles | CNC(=O)NC1=NC(=O)N(C=C1)C2CCC(O2)COC(=O)NC |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Citrus Reticulata (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Citrus Unshiu (Plant) Rel Props:Source_db:cmaup_ingredients