N-[(Z)-naphthalen-2-ylmethylideneamino]-1,4,5,6-tetrahydropyrimidin-2-amine
Formula:C15H16N4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-naphthalen-2-ylmethylideneamino]-1,4,5,6-tetrahydropyrimidin-2-amine is a drug-like molecule.
| MolName | N-[(Z)-naphthalen-2-ylmethylideneamino]-1,4,5,6-tetrahydropyrimidin-2-amine |
| MolecularFormula | C15H16N4 |
| Smiles | C1CN=C(N/N=C\c2cc3ccccc3cc2)NC1 |
| InChI | InChI=1S/C15H16N4/c1-2-5-14-10-12(6-7-13(14)4-1)11-18-19-15-16-8-3-9-17-15/h1-2,4-7,10-11H,3,8-9H2,(H2,16,17,19) |
| InChIK | PHLIIHPZJPKVJI-UHFFFAOYSA-N |
| TotalMolweight | 252.32 |
| Molweight | 252.32 |
| MonoisotopicMass | 252.137496 |
| CLogP | 2.9502 |
| CLogS | -4.808 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 206.29 |
| Relative PSA | 0.2227 |
| PolarSurfaceArea | 48.78 |
| Druglikeness | 4.367 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.68421 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 10 |
| Sp3Atoms | 3 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - N-[(Z)-naphthalen-2-ylmethylideneamino]-1,4,5,6-tetrahydropyrimidin-2-amine | 2 - N-[(Z)-naphthalen-2-ylmethylideneamino]-1,4,5,6-tetrahydropyrimidin-2-amine
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