5-(((4-Aminobutyl)amino)methyl)-2,4(1H,3H)-pyrimidinedione
TL;DR: 5-(((4-Aminobutyl)amino)methyl)-2,4(1H,3H)-pyrimidinedione (CAS 5337-53-1) is a chemical compound with molecular formula C9H16N4O2 and molecular weight 212.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(4-aminobutylamino)methyl]-1H-pyrimidine-2,4-dione
Also Known As: Putthy, alpha-Putrescinylthymine, N-thyminylputrescine, 5(putMe)Ura, 5-(4-Aminobutylaminomethyl)uracil
| Molecular Formula | C9H16N4O2 |
|---|---|
| Molecular Weight | 212.13 g/mol |
| LogP | -1.9 |
| Topological Polar Surface Area | 96.3 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 212.12732 |
| Heavy Atoms | 15 |
| Complexity | 275.0 |
Chemical Identifiers
| CAS Number | 5337-53-1 |
|---|---|
| SMILES | C1=C(C(=O)NC(=O)N1)CNCCCCN |
| InChIKey | IBOLVNKLOOYDDG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-(((4-Aminobutyl)amino)methyl)-2,4(1H,3H)-pyrimidinedione (CAS 5337-53-1), with molecular formula C9H16N4O2 and molecular weight 212.13 g/mol. IUPAC: 5-[(4-aminobutylamino)methyl]-1H-pyrimidine-2,4-dione.
Chemical Property Profile of 5-(((4-Aminobutyl)amino)methyl)-2,4(1H,3H)-pyrimidinedione
Property Insights of 5-(((4-Aminobutyl)amino)methyl)-2,4(1H,3H)-pyrimidinedione
The XLogP value of -1.9 indicates that 5-(((4-Aminobutyl)amino)methyl)-2,4(1H,3H)-pyrimidinedione is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 96.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(((4-Aminobutyl)amino)methyl)-2,4(1H,3H)-pyrimidinedione. Following Lipinski's Rule of Five, 5-(((4-Aminobutyl)amino)methyl)-2,4(1H,3H)-pyrimidinedione has 4 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-(((4-Aminobutyl)amino)methyl)-2,4(1H,3H)-pyrimidinedione?
The CAS number of 5-(((4-Aminobutyl)amino)methyl)-2,4(1H,3H)-pyrimidinedione is 5337-53-1.
What is the molecular formula of 5-(((4-Aminobutyl)amino)methyl)-2,4(1H,3H)-pyrimidinedione?
The molecular formula of 5-(((4-Aminobutyl)amino)methyl)-2,4(1H,3H)-pyrimidinedione is C9H16N4O2.
What is the molecular weight of 5-(((4-Aminobutyl)amino)methyl)-2,4(1H,3H)-pyrimidinedione?
The molecular weight of 5-(((4-Aminobutyl)amino)methyl)-2,4(1H,3H)-pyrimidinedione is 212.13 g/mol.
Where can I buy 5-(((4-Aminobutyl)amino)methyl)-2,4(1H,3H)-pyrimidinedione?
You can request a quote for 5-(((4-Aminobutyl)amino)methyl)-2,4(1H,3H)-pyrimidinedione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(((4-Aminobutyl)amino)methyl)-2,4(1H,3H)-pyrimidinedione?
Yes, KEHONG BIO provides custom synthesis services for 5-(((4-Aminobutyl)amino)methyl)-2,4(1H,3H)-pyrimidinedione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.