2-(Azepan-1-yl)-5-nitro-6-(pyrrolidin-1-yl)pyrimidin-4-amine
TL;DR: 2-(Azepan-1-yl)-5-nitro-6-(pyrrolidin-1-yl)pyrimidin-4-amine (CAS 578001-60-2) is a chemical compound with molecular formula C14H22N6O2 and molecular weight 306.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(azepan-1-yl)-5-nitro-6-pyrrolidin-1-ylpyrimidin-4-amine
Also Known As: 2-(azepan-1-yl)-5-nitro-6-pyrrolidin-1-ylpyrimidin-4-amine, 2-(azepan-1-yl)-5-nitro-6-(pyrrolidin-1-yl)pyrimidin-4-amine, 2-(azepan-1-yl)-5-nitro-6-pyrrolidin-1-yl-pyrimidin-4-amine, 2-azaperhydroepinyl-5-nitro-6-pyrrolidinylpyrimidine-4-ylamine
| Molecular Formula | C14H22N6O2 |
|---|---|
| Molecular Weight | 306.18 g/mol |
| LogP | 1.9476 |
| Topological Polar Surface Area | 101.42 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 306.18042 |
| Heavy Atoms | 22 |
| Complexity | 550.5092 |
Chemical Identifiers
| CAS Number | 578001-60-2 |
|---|---|
| SMILES | C1CCCN(CC1)C2=NC(=C(C(=N2)N3CCCC3)[N+](=O)[O-])N |
Product Overview
2-(Azepan-1-yl)-5-nitro-6-(pyrrolidin-1-yl)pyrimidin-4-amine (CAS 578001-60-2), with molecular formula C14H22N6O2 and molecular weight 306.18 g/mol. IUPAC: 2-(azepan-1-yl)-5-nitro-6-pyrrolidin-1-ylpyrimidin-4-amine.
Chemical Property Profile of 2-(Azepan-1-yl)-5-nitro-6-(pyrrolidin-1-yl)pyrimidin-4-amine
Property Insights of 2-(Azepan-1-yl)-5-nitro-6-(pyrrolidin-1-yl)pyrimidin-4-amine
The XLogP value of 1.9476 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Azepan-1-yl)-5-nitro-6-(pyrrolidin-1-yl)pyrimidin-4-amine. The TPSA of 101.42 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Azepan-1-yl)-5-nitro-6-(pyrrolidin-1-yl)pyrimidin-4-amine. Following Lipinski's Rule of Five, 2-(Azepan-1-yl)-5-nitro-6-(pyrrolidin-1-yl)pyrimidin-4-amine has 1 hydrogen bond donor(s) and 7 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 2-(Azepan-1-yl)-5-nitro-6-(pyrrolidin-1-yl)pyrimidin-4-amine?
The CAS number of 2-(Azepan-1-yl)-5-nitro-6-(pyrrolidin-1-yl)pyrimidin-4-amine is 578001-60-2.
What is the molecular formula of 2-(Azepan-1-yl)-5-nitro-6-(pyrrolidin-1-yl)pyrimidin-4-amine?
The molecular formula of 2-(Azepan-1-yl)-5-nitro-6-(pyrrolidin-1-yl)pyrimidin-4-amine is C14H22N6O2.
What is the molecular weight of 2-(Azepan-1-yl)-5-nitro-6-(pyrrolidin-1-yl)pyrimidin-4-amine?
The molecular weight of 2-(Azepan-1-yl)-5-nitro-6-(pyrrolidin-1-yl)pyrimidin-4-amine is 306.18 g/mol.
Where can I buy 2-(Azepan-1-yl)-5-nitro-6-(pyrrolidin-1-yl)pyrimidin-4-amine?
You can request a quote for 2-(Azepan-1-yl)-5-nitro-6-(pyrrolidin-1-yl)pyrimidin-4-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Azepan-1-yl)-5-nitro-6-(pyrrolidin-1-yl)pyrimidin-4-amine?
Yes, KEHONG BIO provides custom synthesis services for 2-(Azepan-1-yl)-5-nitro-6-(pyrrolidin-1-yl)pyrimidin-4-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.