About formamide;N-methylmethanamine;6-[5-[2-methyl-5-(3-propan-2-ylpyrrolidin-1-yl)phenyl]-3-pyridinyl]pyrimidine-4-carbaldehyde
formamide;N-methylmethanamine;6-[5-[2-methyl-5-(3-propan-2-ylpyrrolidin-1-yl)phenyl]-3-pyridinyl]pyrimidine-4-carbaldehyde (PubChem CID 168928522) has the molecular formula C27H36N6O2
and a molecular weight of 476.63 g/mol. Its IUPAC name is formamide;N-methylmethanamine;6-[5-[2-methyl-5-(3-propan-2-ylpyrrolidin-1-yl)phenyl]-3-pyridinyl]pyrimidine-4-carbaldehyde.
Molecular Properties
| Compound Name | formamide;N-methylmethanamine;6-[5-[2-methyl-5-(3-propan-2-ylpyrrolidin-1-yl)phenyl]-3-pyridinyl]pyrimidine-4-carbaldehyde |
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| PubChem CID | 168928522 |
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| Molecular Formula | C27H36N6O2 |
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| Molecular Weight | 476.63 g/mol |
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| Exact Mass | 476.29 |
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| IUPAC Name | formamide;N-methylmethanamine;6-[5-[2-methyl-5-(3-propan-2-ylpyrrolidin-1-yl)phenyl]-3-pyridinyl]pyrimidine-4-carbaldehyde |
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| SMILES | CNC.Cc1ccc(N2CCC(C(C)C)C2)cc1-c1cncc(-c2cc(C=O)ncn2)c1.NC=O |
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| InChI | InChI=1S/C24H26N4O.C2H7N.CH3NO/c1-16(2)18-6-7-28(13-18)22-5-4-17(3)23(10-22)19-8-20(12-25-11-19)24-9-21(14-29)26-15-27-24;1-3-2;2-1-3/h4-5,8-12,14-16,18H,6-7,13H2,1-3H3;3H,1-2H3;1H,(H2,2,3) |
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| InChIKey | OUXKCVRUVXDPJC-UHFFFAOYSA-N |
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| XLogP | 3.75 |
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| TPSA | 114.10 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 7 |
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| Rotatable Bonds | 5 |
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| Heavy Atoms | 35 |
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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 | 476.63 |
| LogP ≤ 5 | 3.75 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 7 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'aldehyde', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of formamide;N-methylmethanamine;6-[5-[2-methyl-5-(3-propan-2-ylpyrrolidin-1-yl)phenyl]-3-pyridinyl]pyrimidine-4-carbaldehyde?
The IUPAC name of formamide;N-methylmethanamine;6-[5-[2-methyl-5-(3-propan-2-ylpyrrolidin-1-yl)phenyl]-3-pyridinyl]pyrimidine-4-carbaldehyde (CID 168928522) is formamide;N-methylmethanamine;6-[5-[2-methyl-5-(3-propan-2-ylpyrrolidin-1-yl)phenyl]-3-pyridinyl]pyrimidine-4-carbaldehyde.
What is the SMILES notation for formamide;N-methylmethanamine;6-[5-[2-methyl-5-(3-propan-2-ylpyrrolidin-1-yl)phenyl]-3-pyridinyl]pyrimidine-4-carbaldehyde?
The canonical SMILES for formamide;N-methylmethanamine;6-[5-[2-methyl-5-(3-propan-2-ylpyrrolidin-1-yl)phenyl]-3-pyridinyl]pyrimidine-4-carbaldehyde is CNC.Cc1ccc(N2CCC(C(C)C)C2)cc1-c1cncc(-c2cc(C=O)ncn2)c1.NC=O.
What is the InChIKey of formamide;N-methylmethanamine;6-[5-[2-methyl-5-(3-propan-2-ylpyrrolidin-1-yl)phenyl]-3-pyridinyl]pyrimidine-4-carbaldehyde?
The InChIKey is OUXKCVRUVXDPJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O.C2H7N.CH3NO/c1-16(2)18-6-7-28(13-18)22-5-4-17(3)23(10-22)19-8-20(12-25-11-19)24-9-21(14-29)26-15-27-24;1-3-2;2-1-3/h4-5,8-12,14-16,18H,6-7,13H2,1-3H3;3H,1-2H3;1H,(H2,2,3).
What are the key properties of formamide;N-methylmethanamine;6-[5-[2-methyl-5-(3-propan-2-ylpyrrolidin-1-yl)phenyl]-3-pyridinyl]pyrimidine-4-carbaldehyde?
formamide;N-methylmethanamine;6-[5-[2-methyl-5-(3-propan-2-ylpyrrolidin-1-yl)phenyl]-3-pyridinyl]pyrimidine-4-carbaldehyde has a molecular weight of 476.63 g/mol, XLogP of 3.75, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for formamide;N-methylmethanamine;6-[5-[2-methyl-5-(3-propan-2-ylpyrrolidin-1-yl)phenyl]-3-pyridinyl]pyrimidine-4-carbaldehyde is sourced from PubChem (CID 168928522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).