6-(butylamino)-3-methyl-5-nitrosopyrimidine-2,4(1H,3H)-dione
TL;DR: 6-(butylamino)-3-methyl-5-nitrosopyrimidine-2,4(1H,3H)-dione (CAS 5770-21-8) is a chemical compound with molecular formula C9H14N4O3 and molecular weight 226.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(butylamino)-3-methyl-5-nitroso-1H-pyrimidine-2,4-dione
Also Known As: 1-Methyl-4-butylamino-5-nitroso-uracil, 6-(butylamino)-3-methyl-5-nitrosopyrimidine-2,4(1H,3H)-dione, 6-(butylamino)-3-methyl-5-nitroso-1H-pyrimidine-2,4-dione, 2,4(1H,3H)-Pyrimidinedione, 6-(butylamino)-3-methyl-5-nitroso-, 6-(butylamino)-2-hydroxy-3-methyl-5-nitrosopyrimidin-4(3H)-one
| Molecular Formula | C9H14N4O3 |
|---|---|
| Molecular Weight | 226.11 g/mol |
| LogP | 0.6835 |
| Topological Polar Surface Area | 96.32 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 226.1066 |
| Heavy Atoms | 16 |
| Complexity | 488.50797 |
Chemical Identifiers
| CAS Number | 5770-21-8 |
|---|---|
| SMILES | CCCCNC1=C(C(=O)N(C(=O)N1)C)N=O |
Product Overview
6-(butylamino)-3-methyl-5-nitrosopyrimidine-2,4(1H,3H)-dione (CAS 5770-21-8), with molecular formula C9H14N4O3 and molecular weight 226.11 g/mol. IUPAC: 6-(butylamino)-3-methyl-5-nitroso-1H-pyrimidine-2,4-dione.
Chemical Property Profile of 6-(butylamino)-3-methyl-5-nitrosopyrimidine-2,4(1H,3H)-dione
Property Insights of 6-(butylamino)-3-methyl-5-nitrosopyrimidine-2,4(1H,3H)-dione
The XLogP value of 0.6835 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-(butylamino)-3-methyl-5-nitrosopyrimidine-2,4(1H,3H)-dione. The TPSA of 96.32 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-(butylamino)-3-methyl-5-nitrosopyrimidine-2,4(1H,3H)-dione. Following Lipinski's Rule of Five, 6-(butylamino)-3-methyl-5-nitrosopyrimidine-2,4(1H,3H)-dione has 2 hydrogen bond donor(s) and 5 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 6-(butylamino)-3-methyl-5-nitrosopyrimidine-2,4(1H,3H)-dione?
The CAS number of 6-(butylamino)-3-methyl-5-nitrosopyrimidine-2,4(1H,3H)-dione is 5770-21-8.
What is the molecular formula of 6-(butylamino)-3-methyl-5-nitrosopyrimidine-2,4(1H,3H)-dione?
The molecular formula of 6-(butylamino)-3-methyl-5-nitrosopyrimidine-2,4(1H,3H)-dione is C9H14N4O3.
What is the molecular weight of 6-(butylamino)-3-methyl-5-nitrosopyrimidine-2,4(1H,3H)-dione?
The molecular weight of 6-(butylamino)-3-methyl-5-nitrosopyrimidine-2,4(1H,3H)-dione is 226.11 g/mol.
Where can I buy 6-(butylamino)-3-methyl-5-nitrosopyrimidine-2,4(1H,3H)-dione?
You can request a quote for 6-(butylamino)-3-methyl-5-nitrosopyrimidine-2,4(1H,3H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-(butylamino)-3-methyl-5-nitrosopyrimidine-2,4(1H,3H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 6-(butylamino)-3-methyl-5-nitrosopyrimidine-2,4(1H,3H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.