2-amino-6-[(1R)-1-hydroxypropyl]-8-methyl-3H-pteridine-4,7-dione
PubChem CID: 162980666
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| Topological Polar Surface Area | 120.0 |
|---|---|
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 18.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 520.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | 2-amino-6-[(1R)-1-hydroxypropyl]-8-methyl-3H-pteridine-4,7-dione |
| Prediction Hob | 1.0 |
| Xlogp | -1.1 |
| Molecular Formula | C10H13N5O3 |
| Prediction Swissadme | 1.0 |
| Inchi Key | AZVYLZYXTPBVOS-SCSAIBSYSA-N |
| Fcsp3 | 0.4 |
| Logs | -2.965 |
| Rotatable Bond Count | 2.0 |
| Logd | -0.703 |
| Compound Name | 2-amino-6-[(1R)-1-hydroxypropyl]-8-methyl-3H-pteridine-4,7-dione |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 251.102 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 251.102 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 251.24 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.867536311111111 |
| Inchi | InChI=1S/C10H13N5O3/c1-3-4(16)5-9(18)15(2)7-6(12-5)8(17)14-10(11)13-7/h4,16H,3H2,1-2H3,(H3,11,13,14,17)/t4-/m1/s1 |
| Smiles | CC[C@H](C1=NC2=C(N=C(NC2=O)N)N(C1=O)C)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Derris Scandens (Plant) Rel Props:Source_db:cmaup_ingredients