5-(anilinomethyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
Formula:C13H14N6
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
5-(anilinomethyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine is a drug-like molecule.
| MolName | 5-(anilinomethyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine |
| MolecularFormula | C13H14N6 |
| Smiles | Nc1c(c(CNc2ccccc2)c[nH]2)c2nc(N)n1 |
| InChI | InChI=1S/C13H14N6/c14-11-10-8(6-16-9-4-2-1-3-5-9)7-17-12(10)19-13(15)18-11/h1-5,7,16H,6H2,(H5,14,15,17,18,19) |
| InChIK | UMOSRKWZUFNHKM-UHFFFAOYSA-N |
| TotalMolweight | 254.296 |
| Molweight | 254.296 |
| MonoisotopicMass | 254.127994 |
| CLogP | 0.8501 |
| CLogS | -4.313 |
| H Acceptors | 6 |
| H Donors | 4 |
| TotalSurfaceArea | 196.97 |
| Relative PSA | 0.39564 |
| PolarSurfaceArea | 105.64 |
| Druglikeness | 1.0328 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.63158 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amines | 1 |
| Aromatic Amines | 1 |
| Aromatic Nitrogens | 3 |
| BasicNitrogens | 2 |
| StereoCon |
Click to Load Molecule:
1 - 5-(anilinomethyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine | 2 - 5-(anilinomethyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off