About N-[[6-(4-fluorophenyl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]methyl]-3-methylbutan-1-amine
N-[[6-(4-fluorophenyl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]methyl]-3-methylbutan-1-amine (PubChem CID 110172215) has the molecular formula C23H28FN5O
and a molecular weight of 409.51 g/mol. Its IUPAC name is N-[[6-(4-fluorophenyl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]methyl]-3-methylbutan-1-amine.
Molecular Properties
| Compound Name | N-[[6-(4-fluorophenyl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]methyl]-3-methylbutan-1-amine |
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| PubChem CID | 110172215 |
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| Molecular Formula | C23H28FN5O |
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| Molecular Weight | 409.51 g/mol |
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| Exact Mass | 409.23 |
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| IUPAC Name | N-[[6-(4-fluorophenyl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]methyl]-3-methylbutan-1-amine |
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| SMILES | CC(C)CCNCc1nc(N2CCOCC2)c2nc(-c3ccc(F)cc3)ccc2n1 |
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| InChI | InChI=1S/C23H28FN5O/c1-16(2)9-10-25-15-21-26-20-8-7-19(17-3-5-18(24)6-4-17)27-22(20)23(28-21)29-11-13-30-14-12-29/h3-8,16,25H,9-15H2,1-2H3 |
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| InChIKey | SLCNNQOYAYBNDI-UHFFFAOYSA-N |
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| XLogP | 3.80 |
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| TPSA | 63.17 Ų |
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| H-Bond Donors | 1 |
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| H-Bond Acceptors | 6 |
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| Rotatable Bonds | 7 |
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| Heavy Atoms | 30 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
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| MW ≤ 500 | 409.51 |
| LogP ≤ 5 | 3.80 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 6 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of N-[[6-(4-fluorophenyl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]methyl]-3-methylbutan-1-amine?
The IUPAC name of N-[[6-(4-fluorophenyl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]methyl]-3-methylbutan-1-amine (CID 110172215) is N-[[6-(4-fluorophenyl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]methyl]-3-methylbutan-1-amine.
What is the SMILES notation for N-[[6-(4-fluorophenyl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]methyl]-3-methylbutan-1-amine?
The canonical SMILES for N-[[6-(4-fluorophenyl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]methyl]-3-methylbutan-1-amine is CC(C)CCNCc1nc(N2CCOCC2)c2nc(-c3ccc(F)cc3)ccc2n1.
What is the InChIKey of N-[[6-(4-fluorophenyl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]methyl]-3-methylbutan-1-amine?
The InChIKey is SLCNNQOYAYBNDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FN5O/c1-16(2)9-10-25-15-21-26-20-8-7-19(17-3-5-18(24)6-4-17)27-22(20)23(28-21)29-11-13-30-14-12-29/h3-8,16,25H,9-15H2,1-2H3.
What are the key properties of N-[[6-(4-fluorophenyl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]methyl]-3-methylbutan-1-amine?
N-[[6-(4-fluorophenyl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]methyl]-3-methylbutan-1-amine has a molecular weight of 409.51 g/mol, XLogP of 3.80, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(4-fluorophenyl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]methyl]-3-methylbutan-1-amine is sourced from PubChem (CID 110172215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).