4-amino-8H-pyrido[2,3-d]pyrimidin-5-one
Formula:C7H6N4O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
4-amino-8H-pyrido[2,3-d]pyrimidin-5-one is a drug-like molecule.
| MolName | 4-amino-8H-pyrido[2,3-d]pyrimidin-5-one |
| MolecularFormula | C7H6N4O |
| Smiles | Nc1ncnc(NC=C2)c1C2=O |
| InChI | InChI=1S/C7H6N4O/c8-6-5-4(12)1-2-9-7(5)11-3-10-6/h1-3H,(H3,8,9,10,11,12) |
| InChIK | BGXMRRHONOWTLI-UHFFFAOYSA-N |
| TotalMolweight | 162.152 |
| Molweight | 162.152 |
| MonoisotopicMass | 162.054161 |
| CLogP | -0.6789 |
| CLogS | -2.822 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 121.51 |
| Relative PSA | 0.50786 |
| PolarSurfaceArea | 80.9 |
| Druglikeness | 0.55989 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 12 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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