About 2-methyl-2-[4-[[2-(2-methylbenzimidazol-1-yl)-4-morpholin-4-ylfuro[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]propanamide
2-methyl-2-[4-[[2-(2-methylbenzimidazol-1-yl)-4-morpholin-4-ylfuro[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]propanamide (PubChem CID 59605328) has the molecular formula C27H34N8O3
and a molecular weight of 518.62 g/mol. Its IUPAC name is 2-methyl-2-[4-[[2-(2-methylbenzimidazol-1-yl)-4-morpholin-4-ylfuro[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]propanamide.
Molecular Properties
| Compound Name | 2-methyl-2-[4-[[2-(2-methylbenzimidazol-1-yl)-4-morpholin-4-ylfuro[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]propanamide |
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| PubChem CID | 59605328 |
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| Molecular Formula | C27H34N8O3 |
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| Molecular Weight | 518.62 g/mol |
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| Exact Mass | 518.28 |
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| IUPAC Name | 2-methyl-2-[4-[[2-(2-methylbenzimidazol-1-yl)-4-morpholin-4-ylfuro[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]propanamide |
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| SMILES | Cc1nc2ccccc2n1-c1nc(N2CCOCC2)c2oc(CN3CCN(C(C)(C)C(N)=O)CC3)cc2n1 |
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| InChI | InChI=1S/C27H34N8O3/c1-18-29-20-6-4-5-7-22(20)35(18)26-30-21-16-19(38-23(21)24(31-26)33-12-14-37-15-13-33)17-32-8-10-34(11-9-32)27(2,3)25(28)36/h4-7,16H,8-15,17H2,1-3H3,(H2,28,36) |
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| InChIKey | JTXJODWPTYQWFN-UHFFFAOYSA-N |
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| XLogP | 2.09 |
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| TPSA | 118.78 Ų |
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| H-Bond Donors | 1 |
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| H-Bond Acceptors | 10 |
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| Rotatable Bonds | 6 |
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| Heavy Atoms | 38 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 518.62 |
| LogP ≤ 5 | 2.09 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 10 |
Analyze 2-methyl-2-[4-[[2-(2-methylbenzimidazol-1-yl)-4-morpholin-4-ylfuro[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]propanamide with MolForge
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Frequently Asked Questions
What is the IUPAC name of 2-methyl-2-[4-[[2-(2-methylbenzimidazol-1-yl)-4-morpholin-4-ylfuro[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]propanamide?
The IUPAC name of 2-methyl-2-[4-[[2-(2-methylbenzimidazol-1-yl)-4-morpholin-4-ylfuro[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]propanamide (CID 59605328) is 2-methyl-2-[4-[[2-(2-methylbenzimidazol-1-yl)-4-morpholin-4-ylfuro[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]propanamide.
What is the SMILES notation for 2-methyl-2-[4-[[2-(2-methylbenzimidazol-1-yl)-4-morpholin-4-ylfuro[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]propanamide?
The canonical SMILES for 2-methyl-2-[4-[[2-(2-methylbenzimidazol-1-yl)-4-morpholin-4-ylfuro[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]propanamide is Cc1nc2ccccc2n1-c1nc(N2CCOCC2)c2oc(CN3CCN(C(C)(C)C(N)=O)CC3)cc2n1.
What is the InChIKey of 2-methyl-2-[4-[[2-(2-methylbenzimidazol-1-yl)-4-morpholin-4-ylfuro[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]propanamide?
The InChIKey is JTXJODWPTYQWFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N8O3/c1-18-29-20-6-4-5-7-22(20)35(18)26-30-21-16-19(38-23(21)24(31-26)33-12-14-37-15-13-33)17-32-8-10-34(11-9-32)27(2,3)25(28)36/h4-7,16H,8-15,17H2,1-3H3,(H2,28,36).
What are the key properties of 2-methyl-2-[4-[[2-(2-methylbenzimidazol-1-yl)-4-morpholin-4-ylfuro[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]propanamide?
2-methyl-2-[4-[[2-(2-methylbenzimidazol-1-yl)-4-morpholin-4-ylfuro[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]propanamide has a molecular weight of 518.62 g/mol, XLogP of 2.09, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[4-[[2-(2-methylbenzimidazol-1-yl)-4-morpholin-4-ylfuro[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]propanamide is sourced from PubChem (CID 59605328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).