About 2-(4-cyclopropylphenyl)-1-[4-(5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]-3-[methyl(propyl)amino]propan-1-one
2-(4-cyclopropylphenyl)-1-[4-(5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]-3-[methyl(propyl)amino]propan-1-one (PubChem CID 123813541) has the molecular formula C28H39N5O
and a molecular weight of 461.65 g/mol. Its IUPAC name is 2-(4-cyclopropylphenyl)-1-[4-(5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]-3-[methyl(propyl)amino]propan-1-one.
Molecular Properties
| Compound Name | 2-(4-cyclopropylphenyl)-1-[4-(5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]-3-[methyl(propyl)amino]propan-1-one |
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| PubChem CID | 123813541 |
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| Molecular Formula | C28H39N5O |
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| Molecular Weight | 461.65 g/mol |
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| Exact Mass | 461.32 |
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| IUPAC Name | 2-(4-cyclopropylphenyl)-1-[4-(5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]-3-[methyl(propyl)amino]propan-1-one |
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| SMILES | CCCN(C)CC(C(=O)N1CCN(c2ncnc3c2C(C)CC3)CC1)c1ccc(C2CC2)cc1 |
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| InChI | InChI=1S/C28H39N5O/c1-4-13-31(3)18-24(23-10-8-22(9-11-23)21-6-7-21)28(34)33-16-14-32(15-17-33)27-26-20(2)5-12-25(26)29-19-30-27/h8-11,19-21,24H,4-7,12-18H2,1-3H3 |
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| InChIKey | QPGWBHFTQXHUII-UHFFFAOYSA-N |
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| XLogP | 4.18 |
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| TPSA | 52.57 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 5 |
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| Rotatable Bonds | 8 |
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| Heavy Atoms | 34 |
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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 | 461.65 |
| LogP ≤ 5 | 4.18 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 5 |
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Frequently Asked Questions
What is the IUPAC name of 2-(4-cyclopropylphenyl)-1-[4-(5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]-3-[methyl(propyl)amino]propan-1-one?
The IUPAC name of 2-(4-cyclopropylphenyl)-1-[4-(5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]-3-[methyl(propyl)amino]propan-1-one (CID 123813541) is 2-(4-cyclopropylphenyl)-1-[4-(5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]-3-[methyl(propyl)amino]propan-1-one.
What is the SMILES notation for 2-(4-cyclopropylphenyl)-1-[4-(5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]-3-[methyl(propyl)amino]propan-1-one?
The canonical SMILES for 2-(4-cyclopropylphenyl)-1-[4-(5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]-3-[methyl(propyl)amino]propan-1-one is CCCN(C)CC(C(=O)N1CCN(c2ncnc3c2C(C)CC3)CC1)c1ccc(C2CC2)cc1.
What is the InChIKey of 2-(4-cyclopropylphenyl)-1-[4-(5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]-3-[methyl(propyl)amino]propan-1-one?
The InChIKey is QPGWBHFTQXHUII-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H39N5O/c1-4-13-31(3)18-24(23-10-8-22(9-11-23)21-6-7-21)28(34)33-16-14-32(15-17-33)27-26-20(2)5-12-25(26)29-19-30-27/h8-11,19-21,24H,4-7,12-18H2,1-3H3.
What are the key properties of 2-(4-cyclopropylphenyl)-1-[4-(5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]-3-[methyl(propyl)amino]propan-1-one?
2-(4-cyclopropylphenyl)-1-[4-(5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]-3-[methyl(propyl)amino]propan-1-one has a molecular weight of 461.65 g/mol, XLogP of 4.18, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopropylphenyl)-1-[4-(5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]-3-[methyl(propyl)amino]propan-1-one is sourced from PubChem (CID 123813541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).