About 3-[5-methyl-2-[[4-(methylamino)cyclohexyl]methylideneamino]pyrimidin-4-yl]-N-pyrimidin-5-ylimidazo[1,2-a]pyridin-6-amine
3-[5-methyl-2-[[4-(methylamino)cyclohexyl]methylideneamino]pyrimidin-4-yl]-N-pyrimidin-5-ylimidazo[1,2-a]pyridin-6-amine (PubChem CID 135301126) has the molecular formula C24H27N9
and a molecular weight of 441.54 g/mol. Its IUPAC name is 3-[5-methyl-2-[[4-(methylamino)cyclohexyl]methylideneamino]pyrimidin-4-yl]-N-pyrimidin-5-ylimidazo[1,2-a]pyridin-6-amine.
Molecular Properties
| Compound Name | 3-[5-methyl-2-[[4-(methylamino)cyclohexyl]methylideneamino]pyrimidin-4-yl]-N-pyrimidin-5-ylimidazo[1,2-a]pyridin-6-amine |
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| PubChem CID | 135301126 |
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| Molecular Formula | C24H27N9 |
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| Molecular Weight | 441.54 g/mol |
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| Exact Mass | 441.24 |
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| IUPAC Name | 3-[5-methyl-2-[[4-(methylamino)cyclohexyl]methylideneamino]pyrimidin-4-yl]-N-pyrimidin-5-ylimidazo[1,2-a]pyridin-6-amine |
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| SMILES | CNC1CCC(C=Nc2ncc(C)c(-c3cnc4ccc(Nc5cncnc5)cn34)n2)CC1 |
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| InChI | InChI=1S/C24H27N9/c1-16-9-29-24(30-10-17-3-5-18(25-2)6-4-17)32-23(16)21-13-28-22-8-7-19(14-33(21)22)31-20-11-26-15-27-12-20/h7-15,17-18,25,31H,3-6H2,1-2H3 |
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| InChIKey | ZKPHFSTWMWWQJY-UHFFFAOYSA-N |
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| XLogP | 4.11 |
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| TPSA | 105.28 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 9 |
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| Rotatable Bonds | 6 |
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| Heavy Atoms | 33 |
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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 | 441.54 |
| LogP ≤ 5 | 4.11 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 9 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'imine_1', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 3-[5-methyl-2-[[4-(methylamino)cyclohexyl]methylideneamino]pyrimidin-4-yl]-N-pyrimidin-5-ylimidazo[1,2-a]pyridin-6-amine?
The IUPAC name of 3-[5-methyl-2-[[4-(methylamino)cyclohexyl]methylideneamino]pyrimidin-4-yl]-N-pyrimidin-5-ylimidazo[1,2-a]pyridin-6-amine (CID 135301126) is 3-[5-methyl-2-[[4-(methylamino)cyclohexyl]methylideneamino]pyrimidin-4-yl]-N-pyrimidin-5-ylimidazo[1,2-a]pyridin-6-amine.
What is the SMILES notation for 3-[5-methyl-2-[[4-(methylamino)cyclohexyl]methylideneamino]pyrimidin-4-yl]-N-pyrimidin-5-ylimidazo[1,2-a]pyridin-6-amine?
The canonical SMILES for 3-[5-methyl-2-[[4-(methylamino)cyclohexyl]methylideneamino]pyrimidin-4-yl]-N-pyrimidin-5-ylimidazo[1,2-a]pyridin-6-amine is CNC1CCC(C=Nc2ncc(C)c(-c3cnc4ccc(Nc5cncnc5)cn34)n2)CC1.
What is the InChIKey of 3-[5-methyl-2-[[4-(methylamino)cyclohexyl]methylideneamino]pyrimidin-4-yl]-N-pyrimidin-5-ylimidazo[1,2-a]pyridin-6-amine?
The InChIKey is ZKPHFSTWMWWQJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N9/c1-16-9-29-24(30-10-17-3-5-18(25-2)6-4-17)32-23(16)21-13-28-22-8-7-19(14-33(21)22)31-20-11-26-15-27-12-20/h7-15,17-18,25,31H,3-6H2,1-2H3.
What are the key properties of 3-[5-methyl-2-[[4-(methylamino)cyclohexyl]methylideneamino]pyrimidin-4-yl]-N-pyrimidin-5-ylimidazo[1,2-a]pyridin-6-amine?
3-[5-methyl-2-[[4-(methylamino)cyclohexyl]methylideneamino]pyrimidin-4-yl]-N-pyrimidin-5-ylimidazo[1,2-a]pyridin-6-amine has a molecular weight of 441.54 g/mol, XLogP of 4.11, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-methyl-2-[[4-(methylamino)cyclohexyl]methylideneamino]pyrimidin-4-yl]-N-pyrimidin-5-ylimidazo[1,2-a]pyridin-6-amine is sourced from PubChem (CID 135301126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).