N2-allyl-6-(2,6-dimethylmorpholino)-5-nitropyrimidine-2,4-diamine
TL;DR: N2-allyl-6-(2,6-dimethylmorpholino)-5-nitropyrimidine-2,4-diamine (CAS 714227-08-4) is a chemical compound with molecular formula C13H20N6O3 and molecular weight 308.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(2,6-dimethylmorpholin-4-yl)-5-nitro-2-N-prop-2-enylpyrimidine-2,4-diamine
Also Known As: N2-allyl-6-(2,6-dimethylmorpholino)-5-nitropyrimidine-2,4-diamine, 6-(2,6-dimethylmorpholin-4-yl)-5-nitro-2-N-prop-2-enylpyrimidine-2,4-diamine, 6-(2,6-dimethylmorpholin-4-yl)-5-nitro-N~2~-(prop-2-en-1-yl)pyrimidine-2,4-diamine
| Molecular Formula | C13H20N6O3 |
|---|---|
| Molecular Weight | 308.16 g/mol |
| LogP | 1.1785 |
| Topological Polar Surface Area | 119.44 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 308.1597 |
| Heavy Atoms | 22 |
| Complexity | 569.13904 |
Chemical Identifiers
| CAS Number | 714227-08-4 |
|---|---|
| SMILES | CC1CN(CC(O1)C)C2=NC(=NC(=C2[N+](=O)[O-])N)NCC=C |
Product Overview
N2-allyl-6-(2,6-dimethylmorpholino)-5-nitropyrimidine-2,4-diamine (CAS 714227-08-4), with molecular formula C13H20N6O3 and molecular weight 308.16 g/mol. IUPAC: 6-(2,6-dimethylmorpholin-4-yl)-5-nitro-2-N-prop-2-enylpyrimidine-2,4-diamine.
Chemical Property Profile of N2-allyl-6-(2,6-dimethylmorpholino)-5-nitropyrimidine-2,4-diamine
Property Insights of N2-allyl-6-(2,6-dimethylmorpholino)-5-nitropyrimidine-2,4-diamine
The XLogP value of 1.1785 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N2-allyl-6-(2,6-dimethylmorpholino)-5-nitropyrimidine-2,4-diamine. The TPSA of 119.44 Ų falls within the moderate polarity range, balancing permeability and solubility for N2-allyl-6-(2,6-dimethylmorpholino)-5-nitropyrimidine-2,4-diamine. Following Lipinski's Rule of Five, N2-allyl-6-(2,6-dimethylmorpholino)-5-nitropyrimidine-2,4-diamine has 2 hydrogen bond donor(s) and 8 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 N2-allyl-6-(2,6-dimethylmorpholino)-5-nitropyrimidine-2,4-diamine?
The CAS number of N2-allyl-6-(2,6-dimethylmorpholino)-5-nitropyrimidine-2,4-diamine is 714227-08-4.
What is the molecular formula of N2-allyl-6-(2,6-dimethylmorpholino)-5-nitropyrimidine-2,4-diamine?
The molecular formula of N2-allyl-6-(2,6-dimethylmorpholino)-5-nitropyrimidine-2,4-diamine is C13H20N6O3.
What is the molecular weight of N2-allyl-6-(2,6-dimethylmorpholino)-5-nitropyrimidine-2,4-diamine?
The molecular weight of N2-allyl-6-(2,6-dimethylmorpholino)-5-nitropyrimidine-2,4-diamine is 308.16 g/mol.
Where can I buy N2-allyl-6-(2,6-dimethylmorpholino)-5-nitropyrimidine-2,4-diamine?
You can request a quote for N2-allyl-6-(2,6-dimethylmorpholino)-5-nitropyrimidine-2,4-diamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N2-allyl-6-(2,6-dimethylmorpholino)-5-nitropyrimidine-2,4-diamine?
Yes, KEHONG BIO provides custom synthesis services for N2-allyl-6-(2,6-dimethylmorpholino)-5-nitropyrimidine-2,4-diamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.