6-Amino-1-isobutyl-3-methyl-5-nitrosouracil
TL;DR: 6-Amino-1-isobutyl-3-methyl-5-nitrosouracil (CAS 54052-67-4) 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-amino-3-methyl-1-(2-methylpropyl)-5-nitrosopyrimidine-2,4-dione
Also Known As: 6-Amino-1-isobutyl-3-methyl-5-nitrosouracil, 6-Amino-1-isobutyl-3-methyl-5-nitroso-2,4-pyrimidinedione, 6-amino-3-methyl-1-(2-methylpropyl)-5-nitrosopyrimidine-2,4-dione, 1-Isobutyl-3-methyl-5-nitroso-6-aminouracil, 6-amino-3-methyl-1-(2-methylpropyl)-5-nitroso-1,2,3,4-tetrahydropyrimidine-2,4-dione
| Molecular Formula | C9H14N4O3 |
|---|---|
| Molecular Weight | 226.11 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 96.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 226.1066 |
| Heavy Atoms | 16 |
| Complexity | 375.0 |
Chemical Identifiers
| CAS Number | 54052-67-4 |
|---|---|
| SMILES | CC(C)CN1C(=C(C(=O)N(C1=O)C)N=O)N |
| InChIKey | PXWGPZUKJUEITG-UHFFFAOYSA-N |
Product Overview
6-Amino-1-isobutyl-3-methyl-5-nitrosouracil (CAS 54052-67-4), with molecular formula C9H14N4O3 and molecular weight 226.11 g/mol. IUPAC: 6-amino-3-methyl-1-(2-methylpropyl)-5-nitrosopyrimidine-2,4-dione.
Chemical Property Profile of 6-Amino-1-isobutyl-3-methyl-5-nitrosouracil
Property Insights of 6-Amino-1-isobutyl-3-methyl-5-nitrosouracil
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Amino-1-isobutyl-3-methyl-5-nitrosouracil. The TPSA of 96.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Amino-1-isobutyl-3-methyl-5-nitrosouracil. Following Lipinski's Rule of Five, 6-Amino-1-isobutyl-3-methyl-5-nitrosouracil has 1 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-Amino-1-isobutyl-3-methyl-5-nitrosouracil?
The CAS number of 6-Amino-1-isobutyl-3-methyl-5-nitrosouracil is 54052-67-4.
What is the molecular formula of 6-Amino-1-isobutyl-3-methyl-5-nitrosouracil?
The molecular formula of 6-Amino-1-isobutyl-3-methyl-5-nitrosouracil is C9H14N4O3.
What is the molecular weight of 6-Amino-1-isobutyl-3-methyl-5-nitrosouracil?
The molecular weight of 6-Amino-1-isobutyl-3-methyl-5-nitrosouracil is 226.11 g/mol.
Where can I buy 6-Amino-1-isobutyl-3-methyl-5-nitrosouracil?
You can request a quote for 6-Amino-1-isobutyl-3-methyl-5-nitrosouracil directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Amino-1-isobutyl-3-methyl-5-nitrosouracil?
Yes, KEHONG BIO provides custom synthesis services for 6-Amino-1-isobutyl-3-methyl-5-nitrosouracil and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.