2-N,4-N-diphenyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-diamine
Formula:C18H15N5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-N,4-N-diphenyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-diamine is a drug-like molecule.
| MolName | 2-N,4-N-diphenyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-diamine |
| MolecularFormula | C18H15N5 |
| Smiles | c1c[nH]c2c(Nc3ccccc3)nc(Nc3ccccc3)nc12 |
| InChI | InChI=1S/C18H15N5/c1-3-7-13(8-4-1)20-17-16-15(11-12-19-16)22-18(23-17)21-14-9-5-2-6-10-14/h1-12,19H,(H2,20,21,22,23) |
| InChIK | NGYSOAYQOLKCBD-UHFFFAOYSA-N |
| TotalMolweight | 301.352 |
| Molweight | 301.352 |
| MonoisotopicMass | 301.132745 |
| CLogP | 4.04 |
| CLogS | -4.984 |
| H Acceptors | 5 |
| H Donors | 3 |
| TotalSurfaceArea | 237.39 |
| Relative PSA | 0.2479 |
| PolarSurfaceArea | 65.63 |
| Druglikeness | -0.69049 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.56522 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 3 |
| BasicNitrogens | 2 |
| StereoCon |
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1 - 2-N,4-N-diphenyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-diamine | 2 - 2-N,4-N-diphenyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-diamine
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