HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 69964391Generated: October 31, 2026
2-[(S)-1-Phenylethylamino]-4-[5-(purin-4-yl)benzimidazol-1-yl]pyrimidine
https://huagongshe.com/en/chemical/69964391
Identifiers & Physical Properties
| Molecular formula | C24H19N9 |
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| Average molar mass | 433.5 g/mol |
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| Monoisotopic mass | 433.17634164 g/mol |
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| SMILES | C[C@H](Nc1nccc(-n2cnc3cc(C45N=CN=CC4=NC=N5)ccc32)n1)c1ccccc1 |
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| InChIKey | LBBQCFAROGWVBK-FXIRQEPWSA-N |
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| PubChem CID | 69964391 |
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Chemical & Physical Properties
| XLogP | 2.7 |
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| Topological polar surface area | 105 |
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| Hydrogen bond donors | 1 |
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| Hydrogen bond acceptors | 6 |
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| Rotatable bonds | 5 |
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| Heavy atoms | 33 |
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| Formal charge | 0 |
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| Complexity | 832 |
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![2-[(S)-1-Phenylethylamino]-4-[5-(purin-4-yl)benzimidazol-1-yl]pyrimidine molecular structure](/img/chemical/69964391.png)