About N-(4-amino-6-oxo-1H-pyrimidin-5-yl)-3-[[3-[(4-amino-6-oxo-1H-pyrimidin-5-yl)amino]-3-oxopropyl]-(3-aminopropyl)amino]propanamide
N-(4-amino-6-oxo-1H-pyrimidin-5-yl)-3-[[3-[(4-amino-6-oxo-1H-pyrimidin-5-yl)amino]-3-oxopropyl]-(3-aminopropyl)amino]propanamide (PubChem CID 169130889) has the molecular formula C17H26N10O4
and a molecular weight of 434.46 g/mol. Its IUPAC name is N-(4-amino-6-oxo-1H-pyrimidin-5-yl)-3-[[3-[(4-amino-6-oxo-1H-pyrimidin-5-yl)amino]-3-oxopropyl]-(3-aminopropyl)amino]propanamide.
Molecular Properties
| Compound Name | N-(4-amino-6-oxo-1H-pyrimidin-5-yl)-3-[[3-[(4-amino-6-oxo-1H-pyrimidin-5-yl)amino]-3-oxopropyl]-(3-aminopropyl)amino]propanamide |
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| PubChem CID | 169130889 |
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| Molecular Formula | C17H26N10O4 |
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| Molecular Weight | 434.46 g/mol |
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| Exact Mass | 434.21 |
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| IUPAC Name | N-(4-amino-6-oxo-1H-pyrimidin-5-yl)-3-[[3-[(4-amino-6-oxo-1H-pyrimidin-5-yl)amino]-3-oxopropyl]-(3-aminopropyl)amino]propanamide |
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| SMILES | NCCCN(CCC(=O)Nc1c(N)nc[nH]c1=O)CCC(=O)Nc1c(N)nc[nH]c1=O |
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| InChI | InChI=1S/C17H26N10O4/c18-4-1-5-27(6-2-10(28)25-12-14(19)21-8-23-16(12)30)7-3-11(29)26-13-15(20)22-9-24-17(13)31/h8-9H,1-7,18H2,(H,25,28)(H,26,29)(H3,19,21,23,30)(H3,20,22,24,31) |
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| InChIKey | IQCBLLUGRSSJFV-UHFFFAOYSA-N |
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| XLogP | -1.97 |
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| TPSA | 231.00 Ų |
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| H-Bond Donors | 7 |
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| H-Bond Acceptors | 10 |
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| Rotatable Bonds | 11 |
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| Heavy Atoms | 31 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 434.46 |
| LogP ≤ 5 | -1.97 |
| H-Bond Donors ≤ 5 | 7 |
| H-Bond Acceptors ≤ 10 | 10 |
Analyze N-(4-amino-6-oxo-1H-pyrimidin-5-yl)-3-[[3-[(4-amino-6-oxo-1H-pyrimidin-5-yl)amino]-3-oxopropyl]-(3-aminopropyl)amino]propanamide with MolForge
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Frequently Asked Questions
What is the IUPAC name of N-(4-amino-6-oxo-1H-pyrimidin-5-yl)-3-[[3-[(4-amino-6-oxo-1H-pyrimidin-5-yl)amino]-3-oxopropyl]-(3-aminopropyl)amino]propanamide?
The IUPAC name of N-(4-amino-6-oxo-1H-pyrimidin-5-yl)-3-[[3-[(4-amino-6-oxo-1H-pyrimidin-5-yl)amino]-3-oxopropyl]-(3-aminopropyl)amino]propanamide (CID 169130889) is N-(4-amino-6-oxo-1H-pyrimidin-5-yl)-3-[[3-[(4-amino-6-oxo-1H-pyrimidin-5-yl)amino]-3-oxopropyl]-(3-aminopropyl)amino]propanamide.
What is the SMILES notation for N-(4-amino-6-oxo-1H-pyrimidin-5-yl)-3-[[3-[(4-amino-6-oxo-1H-pyrimidin-5-yl)amino]-3-oxopropyl]-(3-aminopropyl)amino]propanamide?
The canonical SMILES for N-(4-amino-6-oxo-1H-pyrimidin-5-yl)-3-[[3-[(4-amino-6-oxo-1H-pyrimidin-5-yl)amino]-3-oxopropyl]-(3-aminopropyl)amino]propanamide is NCCCN(CCC(=O)Nc1c(N)nc[nH]c1=O)CCC(=O)Nc1c(N)nc[nH]c1=O.
What is the InChIKey of N-(4-amino-6-oxo-1H-pyrimidin-5-yl)-3-[[3-[(4-amino-6-oxo-1H-pyrimidin-5-yl)amino]-3-oxopropyl]-(3-aminopropyl)amino]propanamide?
The InChIKey is IQCBLLUGRSSJFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N10O4/c18-4-1-5-27(6-2-10(28)25-12-14(19)21-8-23-16(12)30)7-3-11(29)26-13-15(20)22-9-24-17(13)31/h8-9H,1-7,18H2,(H,25,28)(H,26,29)(H3,19,21,23,30)(H3,20,22,24,31).
What are the key properties of N-(4-amino-6-oxo-1H-pyrimidin-5-yl)-3-[[3-[(4-amino-6-oxo-1H-pyrimidin-5-yl)amino]-3-oxopropyl]-(3-aminopropyl)amino]propanamide?
N-(4-amino-6-oxo-1H-pyrimidin-5-yl)-3-[[3-[(4-amino-6-oxo-1H-pyrimidin-5-yl)amino]-3-oxopropyl]-(3-aminopropyl)amino]propanamide has a molecular weight of 434.46 g/mol, XLogP of -1.97, 11 rotatable bonds, 7 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-6-oxo-1H-pyrimidin-5-yl)-3-[[3-[(4-amino-6-oxo-1H-pyrimidin-5-yl)amino]-3-oxopropyl]-(3-aminopropyl)amino]propanamide is sourced from PubChem (CID 169130889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).